Materials Data on Gd2B6Os by Materials Project
Abstract
Gd2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to fourteen B2- atoms. There are a spread of Gd–B bond distances ranging from 2.77–2.85 Å. In the second Gd3+ site, Gd3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing GdB12 cuboctahedra. There are a spread of Gd–B bond distances ranging from 2.65–2.69 Å. Os6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Os–B bond distances ranging from 2.39–2.46 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Os6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.77–1.85 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. Both B–B bond lengths are 1.81 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. There is one shorter (1.72more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1202304
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Gd2B6Os; B-Gd-Os
- OSTI Identifier:
- 1711063
- DOI:
- https://doi.org/10.17188/1711063
Citation Formats
The Materials Project. Materials Data on Gd2B6Os by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711063.
The Materials Project. Materials Data on Gd2B6Os by Materials Project. United States. doi:https://doi.org/10.17188/1711063
The Materials Project. 2020.
"Materials Data on Gd2B6Os by Materials Project". United States. doi:https://doi.org/10.17188/1711063. https://www.osti.gov/servlets/purl/1711063. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1711063,
title = {Materials Data on Gd2B6Os by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to fourteen B2- atoms. There are a spread of Gd–B bond distances ranging from 2.77–2.85 Å. In the second Gd3+ site, Gd3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing GdB12 cuboctahedra. There are a spread of Gd–B bond distances ranging from 2.65–2.69 Å. Os6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Os–B bond distances ranging from 2.39–2.46 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Os6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.77–1.85 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. Both B–B bond lengths are 1.81 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. There is one shorter (1.72 Å) and one longer (1.89 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. There is one shorter (1.79 Å) and one longer (1.81 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Os6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to six Gd3+ and three B2- atoms. The B–B bond length is 2.18 Å.},
doi = {10.17188/1711063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}