Materials Data on Mg6NbH16 by Materials Project
Abstract
Mg6NbH16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight H+0.88- atoms. There are four shorter (1.98 Å) and four longer (2.12 Å) Mg–H bond lengths. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent H+0.88- atoms. All Nb–H bond lengths are 1.90 Å. There are two inequivalent H+0.88- sites. In the first H+0.88- site, H+0.88- is bonded to three equivalent Mg2+ and one Nb2+ atom to form a mixture of edge and corner-sharing HMg3Nb tetrahedra. In the second H+0.88- site, H+0.88- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190582
- 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; Mg6NbH16; H-Mg-Nb
- OSTI Identifier:
- 1662353
- DOI:
- https://doi.org/10.17188/1662353
Citation Formats
The Materials Project. Materials Data on Mg6NbH16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662353.
The Materials Project. Materials Data on Mg6NbH16 by Materials Project. United States. doi:https://doi.org/10.17188/1662353
The Materials Project. 2020.
"Materials Data on Mg6NbH16 by Materials Project". United States. doi:https://doi.org/10.17188/1662353. https://www.osti.gov/servlets/purl/1662353. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662353,
title = {Materials Data on Mg6NbH16 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6NbH16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight H+0.88- atoms. There are four shorter (1.98 Å) and four longer (2.12 Å) Mg–H bond lengths. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent H+0.88- atoms. All Nb–H bond lengths are 1.90 Å. There are two inequivalent H+0.88- sites. In the first H+0.88- site, H+0.88- is bonded to three equivalent Mg2+ and one Nb2+ atom to form a mixture of edge and corner-sharing HMg3Nb tetrahedra. In the second H+0.88- site, H+0.88- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.},
doi = {10.17188/1662353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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