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Thomas Dehaeze
2025-12-03 16:23:35 +01:00
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paper/iucrtemplate/harvard.sty Normal file
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%% harvard.sty - harvard bibliography style Version 2.0.5
%% Author: Peter Williams peterw@archsci.arch.su.edu.au
%% Copyright: Peter Williams 1994
\NeedsTeXFormat{LaTeX2e}
\ProvidesPackage{harvard}
\RequirePackage{ifthen}
\IfFileExists{html.sty}{\RequirePackage{html}
\newcommand{\harvardurl}[1]{\htmladdnormallink*{\textbf{URL:} \textit{##1}}{##1}}
}{
\newcommand{\harvardurl}[1]{\textbf{URL:} \textit{##1}}
}
\DeclareOption{full}{\citationmode{full}}
\DeclareOption{abbr}{\citationmode{abbr}}
\DeclareOption{default}{\citationmode{default}}
\DeclareOption{agsmcite}{\citationstyle{agsm}}
\DeclareOption{dcucite}{\citationstyle{dcu}}
\DeclareOption{round}{\harvardparenthesis{round}\harvardyearparenthesis{round}}
\DeclareOption{curly}{\harvardparenthesis{curly}\harvardyearparenthesis{curly}}
\DeclareOption{angle}{\harvardparenthesis{angle}\harvardyearparenthesis{angle}}
\DeclareOption{square}{\harvardparenthesis{square}\harvardyearparenthesis{square}}
\DeclareOption{none}{\harvardparenthesis{none}\harvardyearparenthesis{none}}
\DeclareOption*{
\global\edef\HAR@tmp{\CurrentOption}
%% Berwin A. Turlach <berwin@alphasun.anu.edu.au>
\AtEndDocument{\bibliographystyle{\HAR@tmp}}
}
%% Kristoffer H. Rose <kris@diku.dk> 1995/03/01:
%% do not expand macros in citations: put definitions on .aux file instead.
{\catcode`\:=12 \catcode`\-=12 \catcode`\>=12 \catcode`\<=12 %
\gdef\codeof#1{\expandafter\codeof@\meaning#1<-:}%
\gdef\codeof@#1:->#2<-:{#2}}
\def\harvardpreambletext{\catcode`\#=12 \harvardpreambletext@}
\def\harvardpreambletext@#1{\def\next{#1}\catcode`\#=6 %
\immediate\write\@auxout{\string\harvardpreambledefs{%
\string\AtBeginDocument{\codeof\next}}}}
\def\harvardpreambledefs#1{#1\gdef\harvardpreambledefs##1{}}
\newcommand{\harvarditem}[4][\null]{\item[]%
\if@filesw{ \def\protect##1{\string ##1\space}%
\ifthenelse{\equal{#1}{\null}}
{\def\next{{#4}{#2}{#2}{#3}}}
{\def\next{{#4}{#2}{#1}{#3}}}
\immediate\write\@auxout{\string\harvardcite\codeof\next}%
}\fi%
\protect\hspace*{-\labelwidth}\protect\hspace*{-\labelsep}\ignorespaces%
}
\newcommand{\harvardcite}[4]{
\global\@namedef{HAR@fn@#1}{#2}
\global\@namedef{HAR@an@#1}{#3}
\global\@namedef{HAR@yr@#1}{#4}
\global\@namedef{HAR@df@#1}{\csname HAR@fn@#1\endcsname}
}
\newcommand{\citationmode}[1]{
\renewcommand{\HAR@citemode}{\csname HAR@cite@#1\endcsname}
}
\newcommand{\HAR@cite@full}{HAR@fn@}
\newcommand{\HAR@cite@abbr}{HAR@an@}
\newcommand{\HAR@cite@default}{HAR@df@}
\newcommand{\HAR@citemode}{\HAR@cite@default}
\newcommand{\HAR@citetoaux}[1]{%
\if@filesw\immediate\write\@auxout{\string\citation{#1}}\fi%
}
\newcommand{\HAR@checkdef}[2]{\@ifundefined{HAR@df@#1}%
{\textbf{?}\@warning{Citation '#1' on page \thepage \space undefined}}%
{#2}%
}
\newcommand{\HAR@dolist}[2]{\def\@citea{\null}\@for\@citeb:=#1\do%
{\@citea\def\@citea{\HAR@hisep\penalty\@m\ }\HAR@checkdef{\@citeb}%
{#2{\@citeb}\HAR@hysep\penalty\@m\ %
\HAR@year{\@citeb}\HAR@setd{\@citeb}}}%
}
\def\@enamedef#1{\expandafter\def\csname #1\expandafter\endcsname\expandafter}
\newcommand{\HAR@name}[1]{\csname \HAR@citemode#1\endcsname}
\newcommand{\HAR@fname}[1]{\csname HAR@fn@#1\endcsname}
\newcommand{\HAR@aname}[1]{\csname HAR@an@#1\endcsname}
\newcommand{\HAR@year}[1]{\csname HAR@yr@#1\endcsname}
\newcommand{\HAR@setd}[1]{%
\global\@enamedef{HAR@df@#1}{\csname HAR@an@#1\endcsname}%
}
%% Berwin A. Turlach <berwin@alphasun.anu.edu.au>
\global\@namedef{HAR@df@*}{\csname HAR@fn@*\endcsname}
\renewcommand{\nocite}[1]{\HAR@citetoaux{#1}%
\@for\@citeb:=#1\do%
{\HAR@checkdef{\@citeb}{}}}%
\renewcommand{\cite}{\@ifstar{\@ifstar{\HAR@acite}{\HAR@fcite}}{\HAR@dcite}}
\newcommand{\HAR@dcite}[2][\null]{\HAR@citetoaux{#2}%
{\harvardleft\HAR@dolist{#2}{\HAR@name}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\HAR@acite}[2][\null]{\HAR@citetoaux{#2}%
{\harvardleft\HAR@dolist{#2}{\HAR@aname}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\HAR@fcite}[2][\null]{\HAR@citetoaux{#2}%
{\harvardleft\HAR@dolist{#2}{\HAR@fname}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\citeaffixed}{\@ifstar{\@ifstar{\HAR@aciteaff}{\HAR@fciteaff}}%
{\HAR@dciteaff}%
}
\newcommand{\HAR@fciteaff}[3][\null]{\HAR@citetoaux{#2}%
{\harvardleft#3\ \HAR@dolist{#2}{\HAR@fname}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\HAR@aciteaff}[3][\null]{\HAR@citetoaux{#2}%
{\harvardleft#3\ \HAR@dolist{#2}{\HAR@aname}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\HAR@dciteaff}[3][\null]{\HAR@citetoaux{#2}%
{\harvardleft#3\ \HAR@dolist{#2}{\HAR@name}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\citeasnoun}{\@ifstar{\@ifstar{\HAR@aciteasn}{\HAR@fciteasn}}%
{\HAR@dciteasn}%
}
\newcommand{\HAR@fciteasn}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@fname{#2}\ \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\HAR@aciteasn}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@aname{#2}\ \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\HAR@dciteasn}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@name{#2}\ \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\possessivecite}{\@ifstar{\@ifstar{\HAR@acitepos}{\HAR@fcitepos}}%
{\HAR@dcitepos}%
}
\newcommand{\HAR@fcitepos}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@fname{#2}'s \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\HAR@acitepos}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@aname{#2}'s \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\HAR@dcitepos}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@name{#2}'s \harvardyearleft\HAR@year{#2}\ifthenelse{\equal{#1}{\null}}
{}{, #1}\harvardyearright}\HAR@setd{#2}}%
}
\newcommand{\citename}{\@ifstar{\@ifstar{\HAR@acitenam}\HAR@fcitenam}%
{\HAR@dcitenam}%
}
\newcommand{\HAR@fcitenam}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@fname{#2}\ifthenelse{\equal{#1}{\null}}
{}{\ \harvardleft#1\harvardright}}}%
}
\newcommand{\HAR@acitenam}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@aname{#2}\ifthenelse{\equal{#1}{\null}}
{}{\ \harvardleft#1\harvardright}}}%
}
\newcommand{\HAR@dcitenam}[2][\null]{\HAR@citetoaux{#2}\HAR@checkdef{#2}{%
{\HAR@name{#2}\ifthenelse{\equal{#1}{\null}}
{}{\ \harvardleft#1\harvardright}}}%
}
\newcommand{\citeyear}{\@ifstar{\HAR@citeyrnb}{\HAR@citeyr}}
\newcommand{\HAR@citeyrnb}[2][\null]{\HAR@citetoaux{#2}%
{\def\@citea{\null}\@for\@citeb:=#2\do%
{\@citea\def\@citea{\HAR@hisep\penalty\@m\ }\HAR@checkdef{\@citeb}%
{\HAR@year{\@citeb}}}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}}%
}
\newcommand{\HAR@citeyr}[2][\null]{\HAR@citetoaux{#2}%
{\harvardleft\def\@citea{\null}\@for\@citeb:=#2\do%
{\@citea\def\@citea{\HAR@hisep\penalty\@m\ }\HAR@checkdef{\@citeb}%
{\HAR@year{\@citeb}}}\ifthenelse{\equal{#1}{\null}}%
{}{, #1}\harvardright}%
}
\newcommand{\HAR@hysep@apsr}{\null}
\newcommand{\HAR@hisep@apsr}{;}
\newcommand{\HAR@hysep@agsm}{\null}
\newcommand{\HAR@hisep@agsm}{,}
\newcommand{\HAR@hysep@dcu}{,}
\newcommand{\HAR@hisep@dcu}{;}
\newcommand{\HAR@and@agsm}{\&}
\newcommand{\HAR@and@dcu}{and}
\newcommand{\HAR@and@apsr}{and}
\newcommand{\HAR@hysep}{\HAR@hysep@agsm}
\newcommand{\HAR@hisep}{\HAR@hisep@agsm}
\newcommand{\harvardand}{\HAR@and@agsm}
\newcommand{\citationstyle}[1]{%
\renewcommand{\HAR@hysep}{\csname HAR@hysep@#1\endcsname}
\renewcommand{\HAR@hisep}{\csname HAR@hisep@#1\endcsname}
\renewcommand{\harvardand}{\csname HAR@and@#1\endcsname}
}
\newcommand{\HAR@bl@round}{(}
\newcommand{\HAR@br@round}{)}
\newcommand{\HAR@bl@square}{[}
\newcommand{\HAR@br@square}{]}
\newcommand{\HAR@bl@curly}{\{}
\newcommand{\HAR@br@curly}{\}}
\newcommand{\HAR@bl@angle}{$<$}
\newcommand{\HAR@br@angle}{$>$}
\newcommand{\HAR@bl@none}{}
\newcommand{\HAR@br@none}{}
\newcommand{\harvardleft}{\HAR@bl@round}
\newcommand{\harvardright}{\HAR@br@round}
\newcommand{\harvardparenthesis}[1]{
\renewcommand{\harvardleft}{\csname HAR@bl@#1\endcsname}
\renewcommand{\harvardright}{\csname HAR@br@#1\endcsname}
\harvardyearparenthesis{#1}
}
\newcommand{\harvardyearleft}{\HAR@bl@round}
\newcommand{\harvardyearright}{\HAR@br@round}
\newcommand{\harvardyearparenthesis}[1]{
\renewcommand{\harvardyearleft}{\csname HAR@bl@#1\endcsname}
\renewcommand{\harvardyearright}{\csname HAR@br@#1\endcsname}
}
\newcommand{\HAR@checkcitations}[4]{
\def\HAR@tempa{#2}\expandafter
\ifx \csname HAR@fn@#1\endcsname \HAR@tempa
\def\HAR@tempa{#3}\expandafter
\ifx \csname HAR@an@#1\endcsname \HAR@tempa
\def\HAR@tempa{#4}\expandafter
\ifx \csname HAR@yr@#1\endcsname \HAR@tempa
\else
\@tempswatrue
\fi
\else
\@tempswatrue
\fi
\else
\@tempswatrue
\fi
}
\AtEndDocument{\renewcommand{\harvardcite}{\HAR@checkcitations}}
\ExecuteOptions{agsm,agsmcite,default,round}
\ProcessOptions*

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paper/iucrtemplate/iucr.bib Normal file
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@book{knuth84,
author = "Donald E. Knuth",
title = "The \TeX{}book",
publisher = {Addison-Wesley},
year = 1984 }
@book{lamport86,
author = "Leslie Lamport",
title = "{\LaTeX{}}: A Document Preparation System",
publisher = {Addison-Wesley},
year = 1986 }
@article{pauling89,
author = "L. Pauling",
title = {Icosahedral quasicrystals of intermetallic compounds are icosahedral twins of cubic crystals of three kinds, consisting of large (about 5000 atoms) icosahedral complexes in either a cubic body-centered or a cubic face-centered arrangement or smaller (about 1350 atoms) icosahedral complexes in the $\beta$-tungsten arrangement},
journal = "Proc. Natl Acad. Sci USA",
volume = 86,
pages = "8595--8599",
year = 1989 }
@article{pargel84,
author = "E. Parth\'e and L.M. Gelato",
title = "The standardization of inorganic crystal-structure data",
journal = "Acta Cryst.",
volume = "A40",
pages = "169--183",
doi = "10.1107/S0108767384000416",
year = 1984 }
@techreport{rauch76,
author = "Rauch, H. \& Petrascheck, D.",
title = "Grundlagen f{\"u}r ein
Laue-Neutroneninterferometer Teil 1:
Dynamische Beugung",
institution = "Atominstitut der {\"O}sterreichischen
Universit{\"a}ten, Austria",
type = "Report",
number = "AIAU 74405b",
year = 1976 }

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paper/iucrtemplate/iucr.bst Normal file
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paper/iucrtemplate/iucrjournals.cls Normal file
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% This is the IUCr LaTeX2e class macro file iucrjournals.cls
% This work has been dedicated to the public domain
% License: CC0 1.0 Universal
% https://creativecommons.org/publicdomain/zero/1.0/
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Usage:
% \documentclass{iucrjournals}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\NeedsTeXFormat{LaTeX2e}
\ProvidesClass{iucrjournals}
\date{}
\LoadClass[11pt]{article}
\RequirePackage{lineno}
\linenumbers
\RequirePackage[parfill]{parskip}
\RequirePackage{setspace}
\onehalfspacing
\RequirePackage[margin=1in]{geometry}
\RequirePackage{float}
\RequirePackage{graphicx}
\RequirePackage{xcolor}
\RequirePackage{hyperref}
\hypersetup{colorlinks = true, allcolors = blue}
\RequirePackage{authblk}
\RequirePackage{booktabs}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% bibtex:
\RequirePackage{harvard}
% The following hack addresses a problem with bibtex failing when
% there is whitespace in a comma-separated list of labels passed as
% an argument to \cite - see
% http://tex.stackexchange.com/questions/4517/cite-that-tolerates-whitespace
%
\let\OLDcite\cite
\def\tok@scan#1{%
\ifx#1\relax
\let\tok@next\relax
\else
\edef\my@list{\my@list#1}%
\let\tok@next\tok@scan
\fi
\tok@next
}
\newcommand{\@strip}[2]{%
\def\my@list{}\tok@scan#2\relax\let#1\my@list}
\renewcommand{\cite}[1]{\@strip\@args{#1}\OLDcite\@args}
% The iucr.bst BibTeX bibliography style requires the harvard.sty package.
% IUCr citations are similar to the "dcu" style within harvard.sty, but
% require the conjunction to be changed to '&'; also abbreviated citations
% ('et al.') are always used.
\citationstyle{dcu} % (Doe, 1990; Soape, 1991)
\renewcommand{\harvardand}{\&} % (Doe & Soape, 1990)
\citationmode{abbr} % (Doe et al., 1990)
\bibliographystyle{iucr}
\renewcommand{\harvardurl}{\relax} % incompatibility with hyperref
% \newblock is output by BibTeX to separate logical sections of a reference
% listing. It serves no useful purpose, and can cause extra spacing to
% intrude
\let\newblock\relax
% A complication of the preferred style of citation of IUCr journals
% is that the volume number for Acta includes the section label,
% which is NOT printed in bold; to accommodate this, \volbf is defined
% and generated by iucr.bst. \volbf needs to test just the first character
% of the volume number
\gdef\@A@{A}%
\gdef\@B@{B}%
\gdef\@C@{C}%
\gdef\@D@{D}%
\gdef\@E@{E}%
\gdef\@F@{F}%
\gdef\@J@{J}%
\gdef\@M@{M}%
\gdef\@S@{S}%
\newif\iffirst\firsttrue
\def\volbf#1{%
{\firsttrue\v@lbf#1\end}%
}
\def\v@lbf#1{%
\ifx#1\end
\let\next=\relax%
\else
\let\next=\v@lbf\iffirst
\def\t@st{#1}
\if\t@st\@A@{\rmfamily{#1}}\else
\if\t@st\@B@{\rmfamily{#1}}\else
\if\t@st\@C@{\rmfamily{#1}}\else
\if\t@st\@D@{\rmfamily{#1}}\else
\if\t@st\@E@{\rmfamily{#1}}\else
\if\t@st\@F@{\rmfamily{#1}}\else
\textbf{#1}%
\fi
\fi
\fi
\fi
\fi
\fi%
\firstfalse%
\else
{\textbf #1}%
\fi%
\fi
\next%
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% nice orcid links for use in author block:
\RequirePackage{tikz}
\usetikzlibrary{svg.path}
\IfFileExists{orcidlink.sty}%
{\RequirePackage{orcidlink}}%
{% orcidlink is post 2020, so include full code if sty file not available
\definecolor{orcidlogocol}{HTML}{A6CE39}
\tikzset{
orcidlogo/.pic={
\fill[orcidlogocol] svg{M256,128c0,70.7-57.3,128-128,128C57.3,256,0,198.7,0,128C0,57.3,57.3,0,128,0C198.7,0,256,57.3,256,128z};
\fill[white] svg{M86.3,186.2H70.9V79.1h15.4v48.4V186.2z}
svg{M108.9,79.1h41.6c39.6,0,57,28.3,57,53.6c0,27.5-21.5,53.6-56.8,53.6h-41.8V79.1z M124.3,172.4h24.5c34.9,0,42.9-26.5,42.9-39.7c0-21.5-13.7-39.7-43.7-39.7h-23.7V172.4z}
svg{M88.7,56.8c0,5.5-4.5,10.1-10.1,10.1c-5.6,0-10.1-4.6-10.1-10.1c0-5.6,4.5-10.1,10.1-10.1C84.2,46.7,88.7,51.3,88.7,56.8z};
}
}
%% Reciprocal of the height of the svg whose source is above. The
%% original generates a 256pt high graphic; this macro holds 1/256.
\newcommand{\@OrigHeightRecip}{0.00390625}
%% We will compute the current X height to make the logo the right height
\newlength{\@curXheight}
%% Prevent externalization of the ORCiD logo.
\newcommand{\@preventExternalization}{%
\ifcsname tikz@library@external@loaded\endcsname%
\tikzset{external/export next=false}\else\fi%
}
\newcommand{\orcidlogo}{%
\texorpdfstring{%
\setlength{\@curXheight}{\fontcharht\font`X}%
\XeTeXLinkBox{%
\@preventExternalization%
\begin{tikzpicture}[yscale=-\@OrigHeightRecip*\@curXheight,
xscale=\@OrigHeightRecip*\@curXheight,transform shape]
\pic{orcidlogo};
\end{tikzpicture}%
}}{}}
\DeclareRobustCommand\orcidlinkX[1]{\href{https://orcid.org/##1}{%
\orcidlogo}}
\newcommand{\orcidlink}[1]{\orcidlinkX{##1}}
}
\newcommand{\IUCrOrcidlink}[1]{\orcidlink{#1}\,}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% nice email links for use in author block (based on orcidlink):
\definecolor{IUCr@emaillogocol}{HTML}{AAAAAA}
\tikzset{
IUCr@emaillogo/.pic={
\fill[IUCr@emaillogocol]
svg{M 0 11.755 v 66.489 h 90 V 11.755 H 0 z M 45 50.49 L 7.138 15.755 h 75.724 L 45 50.49 z M 33.099 45 L 4 71.695 V 18.304 L 33.099 45 z M 36.058 47.714 L 45 55.918 l 8.943 -8.204 l 28.919 26.53 H 7.138 L 36.058 47.714 z M 56.901 45 L 86 18.304 v 53.392 L 56.901 45 z};
}
}
\definecolor{IUCr@cemaillogocol}{HTML}{0000FF}
\tikzset{
IUCr@cemaillogo/.pic={
\fill[IUCr@cemaillogocol]
svg{M 0 11.755 v 66.489 h 90 V 11.755 H 0 z M 45 50.49 L 7.138 15.755 h 75.724 L 45 50.49 z M 33.099 45 L 4 71.695 V 18.304 L 33.099 45 z M 36.058 47.714 L 45 55.918 l 8.943 -8.204 l 28.919 26.53 H 7.138 L 36.058 47.714 z M 56.901 45 L 86 18.304 v 53.392 L 56.901 45 z};
}
}
\newcommand{\IUCr@OrigHeightRecipE}{0.01400625}
\newlength{\IUCr@curXheightE}
\newcommand{\IUCr@preventExternalizationE}{%
\ifcsname tikz@library@external@loaded\endcsname%
\tikzset{external/export next=false}\else\fi%
}
\newcommand{\IUCr@emaillogo}{%
\texorpdfstring{%
\setlength{\IUCr@curXheightE}{\fontcharht\font`X}%
\XeTeXLinkBox{%
\IUCr@preventExternalizationE%
\begin{tikzpicture}[yscale=-\IUCr@OrigHeightRecipE*\IUCr@curXheightE,
xscale=\IUCr@OrigHeightRecipE*\IUCr@curXheightE,transform shape]
\pic{IUCr@emaillogo};
\end{tikzpicture}%
}}{}}
\newcommand{\IUCr@cemaillogo}{%
\texorpdfstring{%
\setlength{\IUCr@curXheightE}{\fontcharht\font`X}%
\XeTeXLinkBox{%
\IUCr@preventExternalizationE%
\begin{tikzpicture}[yscale=-\IUCr@OrigHeightRecipE*\IUCr@curXheightE,
xscale=\IUCr@OrigHeightRecipE*\IUCr@curXheightE,transform shape]
\pic{IUCr@cemaillogo};
\end{tikzpicture}%
}}{}}
\DeclareRobustCommand\IUCr@emaillinkX[1]{\href{mailto:#1}{%
\IUCr@emaillogo}}
\DeclareRobustCommand\IUCr@cemaillinkX[1]{\href{mailto:#1}{%
\IUCr@cemaillogo}}
\newcommand{\IUCrEmaillink}[1]{\,\IUCr@emaillinkX{#1}\,}
\newcommand{\IUCrCemaillink}[1]{\,\IUCr@cemaillinkX{#1}\,}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% author footnotes for use in author block
% (alternative to using \thanks or \footnote)
\newcounter{IUCr@aufnc}
\setcounter{IUCr@aufnc}{0}
\newcommand{\IUCr@storeaufn}[1]{\stepcounter{IUCr@aufnc}\global\expandafter\def\csname aufnX\theIUCr@aufnc\endcsname{#1}}
\newcommand{\IUCr@printaufn}[1]{\footnotesize\IUCr@fnsymbol{#1}\csname aufnX#1\endcsname\\}
\newcommand{\IUCr@printauthornotes}{%
\ifnum\theIUCr@aufnc>0
\begin{center}
\vskip-22pt
\newcounter{tmpIUCr@aufnc}
\setcounter{tmpIUCr@aufnc}{0}
\loop
\stepcounter{tmpIUCr@aufnc}
%\thetmpIUCr@aufnc
\IUCr@printaufn{\thetmpIUCr@aufnc}%
\addtocounter{IUCr@aufnc}{-1}
\ifnum\theIUCr@aufnc>0
\repeat
\end{center}
\bigskip
\fi
}
\newcommand{\IUCrAufn}[2][0]{%
% store the note as a new macro for later output using \IUCr@printauthornotes
\if0#1%
\IUCr@storeaufn{#2}%
%$^\theIUCr@aufnc$%
\IUCr@fnsymbol{\theIUCr@aufnc}\,%
\else% allows multiple footnote markers pointing to same text
% if the number is greater than \theIUCr@aufnc count, store as new?
\ifnum#1>\theIUCr@aufnc%
\IUCr@storeaufn{#2}%
\fi%
\IUCr@fnsymbol{\theIUCr@aufnc}\,%
\fi%
}
\newcommand{\IUCr@fnsymbol}[1]{%
\ifnum#1<6%
$^\IUCr@fnsymbolsingle{#1}$%
\else%
\newcount\@lrepeat
\@lrepeat=#1
\divide\@lrepeat by 5
%\the\@lrepeat
%modulo gives symbol number:
\newcount\@modsym
\@modsym=#1
\divide\@modsym by 5
\multiply\@modsym by 5
\multiply\@modsym by -1
\advance\@modsym by #1\relax
%\the\@modsym
$^{%
\IUCr@fnsymbolsingle{\@modsym}%
\loop
\IUCr@fnsymbolsingle{\@modsym}%
\advance\@lrepeat by -1
\ifnum\@lrepeat>0
\repeat
}$%
\fi%
}
\newcommand{\IUCr@fnsymbolsingle}[1]{%
\ensuremath{%
\ifcase#1% 0
\or % 1
\dagger
\or % 2
\ddagger
\or % 3
\mathsection
\or % 4
\mathparagraph
\or \|
\else % >= 6
#1
\fi
}%
}
% print author notes after maketitle
\let\IUCr@maketitle=\maketitle
\def\maketitle{%
\IUCr@maketitle
\IUCr@printauthornotes
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% commands and formatting tweaks:
\let\origtitle\title
\renewcommand{\title}[1]{\origtitle{\textbf{#1}}}
\renewenvironment{abstract}
{%\small
\begin{center}
\bfseries \abstractname\vspace{-.5em}\vspace{0pt}
\end{center}
\list{}{
\setlength{\leftmargin}{1cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax}
{\endlist\bigskip}
\newenvironment{synopsis}%
{%\small
\begin{center}
\bfseries Synopsis\vspace{-.5em}\vspace{0pt}
\end{center}
\list{}{
\setlength{\leftmargin}{1cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax}
{\endlist\bigskip}
\newcommand{\keywords}[1]{
\begin{center}
\small
\list{}{
\setlength{\leftmargin}{1cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax\textbf{Keywords:} #1\endlist\end{center}\bigskip}
\let\origaffil\affil
\def\affil#1#{\origaffilA{#1}}
\def\origaffilA#1#2{\origaffil#1{\footnotesize #2}}
\newenvironment{acknowledgements}%
{%\small
\bigskip
%\begin{center}
{\bfseries\Large Acknowledgements}\vspace{-.5em}\vspace{0pt}
%\end{center}
\list{}{
\setlength{\leftmargin}{0cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax}
{\endlist\medskip}
\newenvironment{funding}%
{%\small
\medskip
%\begin{center}
{\bfseries\Large Funding}\vspace{-.5em}\vspace{0pt}
%\end{center}
\list{}{
\setlength{\leftmargin}{0cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax}
{\endlist\medskip}
\newcommand{\ConflictsOfInterest}[1]{
\begin{center}
\small
\list{}{
\setlength{\leftmargin}{0cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax\textbf{Conflicts of interest:} #1\endlist\end{center}\medskip}
\newcommand{\DataAvailability}[1]{
\begin{center}
\small
\list{}{
\setlength{\leftmargin}{0cm}%
\setlength{\rightmargin}{\leftmargin}%
}%
\item\relax\textbf{Data availability:} #1\endlist\end{center}\medskip}

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%------------------------------------------------------------------------------
% Template file for the submission of articles to IUCr journals in LaTeX2e
% using the iucrjournals document class (file iucrjournals.cls)
% This work has been dedicated to the public domain
% License: CC0 1.0 Universal
% https://creativecommons.org/publicdomain/zero/1.0/
%------------------------------------------------------------------------------
% This template file and associated class and style files produce documents in
% a preprint style suitable for submission and review purposes.
% The iucrjournals.cls requires a small selection of packages from standard TeXLive
% distributions and contains a minimal set of macros to define content and apply
% formatting. BibTeX and iucr.bst should be used for references (using harvard.sty).
% If you wish to use additional packages, please reference them in this document and
% please only use packages included in standard TeXLive distributions in order to
% avoid compilation problems during the submission process.
%------------------------------------------------------------------------------
\documentclass{iucrjournals}
% Add extra packages here, e.g.
% \usepackage{myfavouritepackage}
\title{Article title}
% Authors and affiliations (uses the standard authblk package):
% Author affiliations are indicated by lowercase letters in square brackets in the \author macro.
% Affiliations (referenced by the lowercase letters in square brackets) are listed after all the authors have been defined.
% The email addresses of corresponding/contact authors can be included using:
% \IUCrCemaillink{corrauthor@org.org}
% Other co-author email addresses can be included using:
% \IUCrEmaillink{coauthor@org.org}
% ORCiDs can be included using:
% \IUCrOrcidlink{xxxx-xxxx-xxxx-xxxx}
% Author footnotes can be included using:
% \IUCrAufn{Text...}
% and to apply the same footnote to another author use:
% \IUCrAufn[1]{}
% where the number in square brackets refers to the numerical order of the
% previously defined footnote.
% For example:
% \author[a]{Anne Author\IUCrCemaillink{corrauthor@org.org}\IUCrOrcidlink{xxxx-xxxx-xxxx-xxxx}}
\author[a]{Anne Author\IUCrCemaillink{corrauthor@org.org}\IUCrOrcidlink{xxxx-xxxx-xxxx-xxxx}}%
\author[b]{Secundus Segunda\IUCrEmaillink{coauthor@org.org}\IUCrOrcidlink{xxxx-xxxx-xxxx-xxxx}\IUCrAufn{Unique note.}}%
\author[a,b]{Trinity Terzi\IUCrCemaillink{anothercorrauthor@org.org}\IUCrOrcidlink{xxxx-xxxx-xxxx-xxxx}\IUCrAufn{Shared note.}}%
\author[a,b]{Clover Dufour\IUCrEmaillink{anothercoauthor@org.org}\IUCrAufn[2]{}}
\affil[a]{Department, Organization, ..., Country }
\affil[b]{Different Department, Different Organization, ..., Country }
\begin{document}
\maketitle
\begin{synopsis}
One or two sentences suitable for the Journal contents listing and use in promoting your article via social media, highlighting the findings and significance of your work.
\end{synopsis}
\begin{abstract}
Single paragraph stating as specifically and as quantitatively as possible the principal results obtained, and providing an indication of the broader significance of the work. The abstract should be capable of being understood on its own without access to the text or figures.
\end{abstract}
\keywords{ Three or four key words/phrases separated by semi-colons. }
\section{Section title}
Text text text text text text text text text text text text text text
text text text text text text text \cite{knuth84,lamport86}.
\begin{figure}[ht] %
\label{fig:figure1}
\begin{center}
\includegraphics[width=0.5\textwidth]{fig1.png} % NB use pdflatex for non-postscript
\end{center}
\caption{Caption \protect\cite{knuth84}} % NB \protect\cite{...} is required in floating figures
\end{figure}
\subsection{Subsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
\subsubsection{Subsubsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
\section{Section title}
Text text text text text text text text text text text text text text
text text text text text text text.
\subsection{Subsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
\subsubsection{Subsubsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
% Basic table
\begin{table}[ht]
\caption{Caption to table \protect\cite{lamport86}} % NB \protect\cite{...} is required in floating tables
\smallskip
\begin{center}
\begin{tabular}{llcr}
\midrule
HEADING & FOR & EACH & COLUMN \\
\midrule
entry & entry & entry & entry \\
entry & entry & entry & entry \\
entry & entry & entry & entry \\
\end{tabular}
\end{center}
\end{table}
\appendix % if required
\section{Appendix title}
Text text text text text text text text text text text text text text
text text text text text text text.
\subsection{Appendix subsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
\subsubsection{Appendix subsubsection title}
Text text text text text text text text text text text text text text
text text text text text text text.
\begin{acknowledgements}
The contributions of non-authors etc. should be given here.
\end{acknowledgements}
\begin{funding}
List funding organizations, recipients, grant numbers, etc.
\end{funding}
\ConflictsOfInterest{Please declare any conflicts of interest, or declare that there are no conflicts of interest.
}
\DataAvailability{Please state how the data supporting the results reported in your article can be accessed, e.g. within the article, as published supporting material, in repositories, upon request...
}
\bibliography{iucr} % basename of .bib file
\end{document}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%