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Title: Materials Data on Ba2GeP2 by Materials Project

Abstract

Ba2GeP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Ba–P bond distances ranging from 3.21–3.67 Å. In the second Ba2+ site, Ba2+ is bonded to six P3- atoms to form edge-sharing BaP6 octahedra. There are a spread of Ba–P bond distances ranging from 3.26–3.47 Å. Ge2+ is bonded in a distorted bent 120 degrees geometry to two P3- atoms. There are one shorter (2.31 Å) and one longer (2.32 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom.

Publication Date:
Other Number(s):
mp-8194
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; Ba2GeP2; Ba-Ge-P
OSTI Identifier:
1307956
DOI:
https://doi.org/10.17188/1307956

Citation Formats

The Materials Project. Materials Data on Ba2GeP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307956.
The Materials Project. Materials Data on Ba2GeP2 by Materials Project. United States. doi:https://doi.org/10.17188/1307956
The Materials Project. 2020. "Materials Data on Ba2GeP2 by Materials Project". United States. doi:https://doi.org/10.17188/1307956. https://www.osti.gov/servlets/purl/1307956. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1307956,
title = {Materials Data on Ba2GeP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2GeP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Ba–P bond distances ranging from 3.21–3.67 Å. In the second Ba2+ site, Ba2+ is bonded to six P3- atoms to form edge-sharing BaP6 octahedra. There are a spread of Ba–P bond distances ranging from 3.26–3.47 Å. Ge2+ is bonded in a distorted bent 120 degrees geometry to two P3- atoms. There are one shorter (2.31 Å) and one longer (2.32 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom.},
doi = {10.17188/1307956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}