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Title: Materials Data on SrP2(HO4)2 by Materials Project

Abstract

SrP2(HO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.01 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. 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 1.51–1.61 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.56 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the second O site, O is bonded in a distorted bent 120 degreesmore » geometry to one Sr, one P, and one H atom. In the third O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one P and one H atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr, one P, and one H atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1192599
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; SrP2(HO4)2; H-O-P-Sr
OSTI Identifier:
1749110
DOI:
https://doi.org/10.17188/1749110

Citation Formats

The Materials Project. Materials Data on SrP2(HO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749110.
The Materials Project. Materials Data on SrP2(HO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749110
The Materials Project. 2020. "Materials Data on SrP2(HO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749110. https://www.osti.gov/servlets/purl/1749110. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749110,
title = {Materials Data on SrP2(HO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrP2(HO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.01 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. 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 1.51–1.61 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.56 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr, one P, and one H atom. In the third O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one P and one H atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr, one P, and one H atom.},
doi = {10.17188/1749110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}