Materials Data on CrSnSbO6 by Materials Project
CrSnSbO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one SnO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. All Cr–O bond lengths are 2.03 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are two shorter (2.07 Å) and four longer (2.09 Å) Sn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent SnO6 octahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are four shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+, one Sn4+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Cr3+, one Sn4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+, one Sn4+, and one Sb5+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1682942
- Report Number(s):
- mp-1226180
- Country of Publication:
- United States
- Language:
- English
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