Materials Data on B24Mo7 by Materials Project
Abstract
Mo7B24 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mo+2.57+ sites. In the first Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.26 Å. In the second Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the third Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.34 Å) Mo–B bond lengths. In the fourth Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.35 Å. In the fifth Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.36 Å) Mo–B bond lengths. There are two inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 6-coordinate geometry to three Mo+2.57+ and three equivalent B+0.75-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1228730
- 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; B24Mo7; B-Mo
- OSTI Identifier:
- 1664159
- DOI:
- https://doi.org/10.17188/1664159
Citation Formats
The Materials Project. Materials Data on B24Mo7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664159.
The Materials Project. Materials Data on B24Mo7 by Materials Project. United States. doi:https://doi.org/10.17188/1664159
The Materials Project. 2020.
"Materials Data on B24Mo7 by Materials Project". United States. doi:https://doi.org/10.17188/1664159. https://www.osti.gov/servlets/purl/1664159. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1664159,
title = {Materials Data on B24Mo7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo7B24 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mo+2.57+ sites. In the first Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.26 Å. In the second Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the third Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.34 Å) Mo–B bond lengths. In the fourth Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.35 Å. In the fifth Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.36 Å) Mo–B bond lengths. There are two inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 6-coordinate geometry to three Mo+2.57+ and three equivalent B+0.75- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the second B+0.75- site, B+0.75- is bonded in a 3-coordinate geometry to four Mo+2.57+ and three equivalent B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.72–1.76 Å.},
doi = {10.17188/1664159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}