DOI: 10.17188/1682744
title: Materials Data on LaB12H33Cl2O11 by Materials Project

description: La(H9O5)2(BH)12H3OCl2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of twenty-four boranediylradical molecules; four hydrochloric acid molecules; two hydrogen hydrate molecules; and two La(H9O5)2 sheets oriented in the (0, 0, 1) direction. In each La(H9O5)2 sheet, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.57 Å) and three longer (2.60 Å) La–O bond lengths. There are fourteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one La3+, two H1+, and one O2- atom. The O–O bond length is 2.78 Å. In the second O2- site, O2- is bonded in a water-like geometry to one La3+, two H1+, and one O2- atom. The O–O bond length is 2.84 Å. In the third O2- site, O2- is bonded in a water-like geometry to one La3+, two H1+, and one O2- atom. The O–O bond length is 2.75 Å. In the fourth O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. Both O–H bond lengths are 0.98 Å. In the sixth O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. Both O–H bond lengths are 0.98 Å. In the ninth O2- site, O2- is bonded in a water-like geometry to one La3+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a trigonal planar geometry to three O2- atoms.