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Title: Materials Data on Be3P2 by Materials Project

Abstract

Be3P2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.15–2.36 Å. In the second Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.17–2.35 Å. In the third Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.06–2.26 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded to four equivalent Be2+ atoms to form corner-sharing PBe4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–67°. In the second P3- site, P3- is bonded in a body-centered cubic geometry to eight Be2+ atoms. In the third P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, andmore » edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. In the fourth P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, and edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 63–65°. In the fifth P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, and edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 64–65°.« less

Publication Date:
Other Number(s):
mp-29629
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; Be3P2; Be-P
OSTI Identifier:
1204116
DOI:
10.17188/1204116

Citation Formats

The Materials Project. Materials Data on Be3P2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204116.
The Materials Project. Materials Data on Be3P2 by Materials Project. United States. doi:10.17188/1204116.
The Materials Project. 2020. "Materials Data on Be3P2 by Materials Project". United States. doi:10.17188/1204116. https://www.osti.gov/servlets/purl/1204116. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204116,
title = {Materials Data on Be3P2 by Materials Project},
author = {The Materials Project},
abstractNote = {Be3P2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.15–2.36 Å. In the second Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.17–2.35 Å. In the third Be2+ site, Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.06–2.26 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded to four equivalent Be2+ atoms to form corner-sharing PBe4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–67°. In the second P3- site, P3- is bonded in a body-centered cubic geometry to eight Be2+ atoms. In the third P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, and edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. In the fourth P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, and edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 63–65°. In the fifth P3- site, P3- is bonded to six Be2+ atoms to form distorted PBe6 octahedra that share corners with four PBe6 octahedra, corners with two equivalent PBe4 tetrahedra, and edges with four PBe6 octahedra. The corner-sharing octahedra tilt angles range from 64–65°.},
doi = {10.17188/1204116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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