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Title: Materials Data on B2Mo3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1666819· OSTI ID:1666819

Mo3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mo–B bond lengths are 2.45 Å. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.36 Å) and two longer (2.43 Å) Mo–B bond lengths. B3- is bonded in a 9-coordinate geometry to eight Mo2+ and one B3- atom. The B–B bond length is 1.92 Å.

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:
1666819
Report Number(s):
mp-1079053
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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