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Title: Materials Data on SrP2(H2O3)2 by Materials Project

Abstract

SrP2(H2O3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.78 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H and three O2- atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H and three O2- atoms. The P–H bond length is 1.41 Å. There is two shorter (1.52 Å) and one longer (1.61 Å) P–O bond length. There are four inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. In the second H site, H is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.79 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometrymore » to one P5+ atom. In the fourth H site, H is bonded in a single-bond geometry to one P5+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one P5+, and one H atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one P5+, and two H atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-765294
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; SrP2(H2O3)2; H-O-P-Sr
OSTI Identifier:
1295881
DOI:
10.17188/1295881

Citation Formats

The Materials Project. Materials Data on SrP2(H2O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295881.
The Materials Project. Materials Data on SrP2(H2O3)2 by Materials Project. United States. doi:10.17188/1295881.
The Materials Project. 2020. "Materials Data on SrP2(H2O3)2 by Materials Project". United States. doi:10.17188/1295881. https://www.osti.gov/servlets/purl/1295881. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1295881,
title = {Materials Data on SrP2(H2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrP2(H2O3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.78 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H and three O2- atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H and three O2- atoms. The P–H bond length is 1.41 Å. There is two shorter (1.52 Å) and one longer (1.61 Å) P–O bond length. There are four inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. In the second H site, H is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.79 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one P5+ atom. In the fourth H site, H is bonded in a single-bond geometry to one P5+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one P5+, and one H atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one P5+, and two H atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one P5+ atom.},
doi = {10.17188/1295881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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