Materials Data on Gd2(FeB)7 by Materials Project
Gd2(FeB)7 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted hexagonal bipyramidal geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.68–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to ten B3- atoms. There are a spread of Gd–B bond distances ranging from 2.72–3.12 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.73–2.90 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.86 Å. There are seven inequivalent Fe+2.14+ sites. In the first Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.28 Å. In the second Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.27 Å. In the third Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.37 Å. In the fourth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.34 Å. In the fifth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.34 Å. In the sixth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.17 Å. In the seventh Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.18 Å. There are seven inequivalent B3- sites. In the first B3- site, B3- is bonded in a 5-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.76 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.75 Å. In the third B3- site, B3- is bonded in a 8-coordinate geometry to two equivalent Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.75 Å. In the fourth B3- site, B3- is bonded in a 5-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- atom. In the fifth B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.76 Å. In the sixth B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. In the seventh B3- site, B3- is bonded in a 9-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- 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:
- 1283552
- Report Number(s):
- mp-680207
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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