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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191385
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- 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}
}