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Title: Materials Data on NpB4 by Materials Project

Abstract

NpB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Np6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Np–B bond distances ranging from 2.70–3.00 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Np6+ and three B+1.50- atoms. There is two shorter (1.69 Å) and one longer (1.74 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Np6+ and five B+1.50- atoms. There is one shorter (1.60 Å) and four longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Np6+ and five B+1.50- atoms. Both B–B bond lengths are 1.82 Å.

Publication Date:
Other Number(s):
mp-1188425
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NpB4; B-Np
OSTI Identifier:
1751044
DOI:
https://doi.org/10.17188/1751044

Citation Formats

The Materials Project. Materials Data on NpB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751044.
The Materials Project. Materials Data on NpB4 by Materials Project. United States. doi:https://doi.org/10.17188/1751044
The Materials Project. 2020. "Materials Data on NpB4 by Materials Project". United States. doi:https://doi.org/10.17188/1751044. https://www.osti.gov/servlets/purl/1751044. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751044,
title = {Materials Data on NpB4 by Materials Project},
author = {The Materials Project},
abstractNote = {NpB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Np6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Np–B bond distances ranging from 2.70–3.00 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Np6+ and three B+1.50- atoms. There is two shorter (1.69 Å) and one longer (1.74 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Np6+ and five B+1.50- atoms. There is one shorter (1.60 Å) and four longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Np6+ and five B+1.50- atoms. Both B–B bond lengths are 1.82 Å.},
doi = {10.17188/1751044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}