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Title: Materials Data on Na3BP2 by Materials Project

Abstract

Na3BP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.82–2.89 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.99–3.19 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.94–3.18 Å. B3+ is bonded in a linear geometry to two P3- atoms. Both B–P bond lengths are 1.78 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Na1+ and one B3+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Na1+ and one B3+ atom.

Publication Date:
Other Number(s):
mp-29370
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; Na3BP2; B-Na-P
OSTI Identifier:
1203717
DOI:
https://doi.org/10.17188/1203717

Citation Formats

The Materials Project. Materials Data on Na3BP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203717.
The Materials Project. Materials Data on Na3BP2 by Materials Project. United States. doi:https://doi.org/10.17188/1203717
The Materials Project. 2020. "Materials Data on Na3BP2 by Materials Project". United States. doi:https://doi.org/10.17188/1203717. https://www.osti.gov/servlets/purl/1203717. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203717,
title = {Materials Data on Na3BP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3BP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.82–2.89 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.99–3.19 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.94–3.18 Å. B3+ is bonded in a linear geometry to two P3- atoms. Both B–P bond lengths are 1.78 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Na1+ and one B3+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Na1+ and one B3+ atom.},
doi = {10.17188/1203717},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}