U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd3MnB7 by Materials Project
Abstract
Gd3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Gd–B bond distances ranging from 2.63–2.75 Å. In the second Gd site, Gd is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Gd–B bond distances ranging from 2.63–2.69 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.29 Å) Mn–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four equivalent Gd, two equivalent Mn, and two equivalent B atoms. Both B–B bond lengths are 1.71 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Gd and three B atoms. There is one shorter (1.92 Å) and two longer (1.96 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Gd, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longermore »
- Publication Date:
- Other Number(s):
- mp-976437
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Gd-Mn; Gd3MnB7; crystal structure
- OSTI Identifier:
- 1315288
- DOI:
- https://doi.org/10.17188/1315288
Citation Formats
Materials Data on Gd3MnB7 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1315288.
Materials Data on Gd3MnB7 by Materials Project. United States. doi:https://doi.org/10.17188/1315288
2017.
"Materials Data on Gd3MnB7 by Materials Project". United States. doi:https://doi.org/10.17188/1315288. https://www.osti.gov/servlets/purl/1315288. Pub date:Fri Jun 23 00:00:00 EDT 2017
@article{osti_1315288,
title = {Materials Data on Gd3MnB7 by Materials Project},
abstractNote = {Gd3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Gd–B bond distances ranging from 2.63–2.75 Å. In the second Gd site, Gd is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Gd–B bond distances ranging from 2.63–2.69 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.29 Å) Mn–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four equivalent Gd, two equivalent Mn, and two equivalent B atoms. Both B–B bond lengths are 1.71 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Gd and three B atoms. There is one shorter (1.92 Å) and two longer (1.96 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Gd, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longer (1.82 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four equivalent Gd, two equivalent Mn, and three B atoms. The B–B bond length is 1.99 Å.},
doi = {10.17188/1315288},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}