Materials Data on Gd3ReB7 by Materials Project
Gd3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.78 Å. In the second Gd3+ site, Gd3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.69–2.73 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Re–B bond distances ranging from 2.33–2.37 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 Gd3+ and three B+2.14- atoms. There is one shorter (1.88 Å) and two longer (2.02 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.85 Å) and one longer (1.88 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longer (1.93 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 2-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and two equivalent B+2.14- atoms.
- 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:
- 1746716
- Report Number(s):
- mp-1190894
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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