Materials Data on VCrO3 by Materials Project
V(CrO3) crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.81–2.47 Å. In the second V3+ site, V3+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.83–2.45 Å. In the third V3+ site, V3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.07 Å. In the fourth V3+ site, V3+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.81–2.47 Å. There are four inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.73–2.04 Å. In the second Cr3+ site, Cr3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.73–2.04 Å. In the third Cr3+ site, Cr3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.70–2.05 Å. In the fourth Cr3+ site, Cr3+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Cr–O bond distances ranging from 1.81–2.48 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V3+ and two Cr3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three V3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three V3+ and one Cr3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two V3+ and two Cr3+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two V3+ and one Cr3+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two V3+ and one Cr3+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one V3+ and one Cr3+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one V3+ and one Cr3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one V3+ and three Cr3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two V3+ and two Cr3+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one V3+ and two Cr3+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two V3+ and one Cr3+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1300127
- Report Number(s):
- mp-770849
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on VCrO3 by Materials Project
Materials Data on VCrO3 by Materials Project