Materials Data on Ho3CrB7 by Materials Project
Ho3CrB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.61–2.72 Å. In the second Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.61–2.68 Å. Cr6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Cr–B bond distances ranging from 2.27–2.30 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Ho3+ and three B+2.14- atoms. There is one shorter (1.88 Å) and two longer (1.95 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.74–1.92 Å. In the third B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Ho3+, two equivalent Cr6+, and two equivalent B+2.14- atoms. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Cr6+, and three B+2.14- atoms. The B–B bond length is 1.84 Å.
- 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:
- 1205374
- Report Number(s):
- mp-31046
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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