DOI: 10.17188/1683096
title: Materials Data on CrSb2H12C8O5 by Materials Project

description: CrC8Sb2H12O5 is alpha structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CrC8Sb2H12O5 clusters. Cr3+ is bonded in a distorted rectangular see-saw-like geometry to four C and two Sb+2.50- atoms. There are a spread of Cr–C bond distances ranging from 1.86–1.90 Å. Both Cr–Sb bond lengths are 2.67 Å. There are eight inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C site, C is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sb+2.50- and three H1+ atoms. The C–Sb bond length is 2.15 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fourth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sb+2.50- and three H1+ atoms. The C–Sb bond length is 2.15 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fifth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sb+2.50- and three H1+ atoms. The C–Sb bond length is 2.16 Å. All C–H bond lengths are 1.10 Å. In the sixth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sb+2.50- and three H1+ atoms. The C–Sb bond length is 2.16 Å. All C–H bond lengths are 1.10 Å. In the seventh C site, C is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. In the eighth C site, C is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to one Cr3+, two C, and one O2- atom. The Sb–O bond length is 1.98 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to one Cr3+, two C, and one O2- atom. The Sb–O bond length is 1.99 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb+2.50- atoms.