What is the crystal structure of bismuth oxyhydroxyphosphate (BOHP)?
What is the crystal structure of bismuth oxyhydroxyphosphate (BOHP)?


Not exactly sure what an answer looks like so here is everything.

First off looking at the diffraction pattern from the paper, bismuth oxyhydroxyphosphate matches that of petitjeanite so that is definately the prototype structure.



Using the information about diffraction, from the ICDD Databse (pdf 01-082-8058)we find that petitjeanite is a triclinic system of the $\mathrm P\bar 1$ space group (#2). with lattice parameters of: 

$\require{mediawiki-texvc}$
$$a = 9.798\AA; ~ b =  7.250\AA; ~ c= 6.866 \AA; \qquad \alpha = 88.280^\circ \beta = 115.270^\circ ~ \gamma = 110.700^\circ$$

and atomic positions of:
$$\begin{array}{c|lll}
\text{Atom}&amp;x&amp;y&amp;z\\
\hline
\ce{Bi}&amp;~~~0.52327&amp;~~~0.41421&amp;~~~0.7523\\
\ce{Bi}&amp;~~~0.29838&amp;~~~0.74044&amp;~~~0.55549\\
\ce{Bi}&amp;~~~0.07735&amp;~~~0.1609&amp;~~~0.28045\\
\ce{P}&amp;~~~0.6952&amp;~~~0.0172&amp;~~~0.9215\\
\ce{P}&amp;~~~0.0961&amp;~~~0.372&amp;~~~0.7862\\
\ce{O}&amp;~~~0.3777&amp;~~~0.5382&amp;~~~0.4759\\
\ce{O}&amp;~~~0.3066&amp;~~~0.1549&amp;~~~0.5579\\
\ce{O}&amp;~~~0.859&amp;~~~0.0275&amp;~~~0.8943\\
\ce{O}&amp;~~~0.5569&amp;-0.2084&amp;~~~0.8602\\
\ce{O}&amp;~~~0.621&amp;~~~0.1596&amp;~~~0.7526\\
\ce{O}&amp;~~~0.7684&amp;~~~0.1052&amp;~~~1.1811\\
\ce{O}&amp;~~~0.2584&amp;~~~0.5101&amp;~~~0.7497\\
\ce{O}&amp;-0.0468&amp;~~~0.4637&amp;~~~0.6902\\
\ce{O}&amp;~~~0.0209&amp;~~~0.1498&amp;~~~0.6362\\
\ce{O}&amp;~~~0.1695&amp;~~~0.3727&amp;~~~1.0506\\
\end{array}
$$

and last but not least this renders to an image of:



Purple: Bi
Orange: P
Red: O