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Title: Materials Data on Ba(PO4)2 by Materials Project

Abstract

Ba(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.04 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ba and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Ba andmore » one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom.« less

Publication Date:
Other Number(s):
mp-1191385
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; Ba(PO4)2; Ba-O-P
OSTI Identifier:
1744775
DOI:
https://doi.org/10.17188/1744775

Citation Formats

The Materials Project. Materials Data on Ba(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744775.
The Materials Project. Materials Data on Ba(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744775
The Materials Project. 2020. "Materials Data on Ba(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744775. https://www.osti.gov/servlets/purl/1744775. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744775,
title = {Materials Data on Ba(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.04 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ba and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Ba and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom.},
doi = {10.17188/1744775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}