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Title: Materials Data on SrIn2(PO4)4 by Materials Project

Abstract

SrIn2(PO4)4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.75 Å. There are two inequivalent In sites. In the first In site, In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.19 Å. In the second In site, In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.21 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 37–47°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of P–O bond distances rangingmore » from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Sr, one In, and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Sr, one In, and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Sr and one P atom.« less

Publication Date:
Other Number(s):
mp-1201013
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; SrIn2(PO4)4; In-O-P-Sr
OSTI Identifier:
1684569
DOI:
https://doi.org/10.17188/1684569

Citation Formats

The Materials Project. Materials Data on SrIn2(PO4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684569.
The Materials Project. Materials Data on SrIn2(PO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1684569
The Materials Project. 2020. "Materials Data on SrIn2(PO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1684569. https://www.osti.gov/servlets/purl/1684569. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684569,
title = {Materials Data on SrIn2(PO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrIn2(PO4)4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.75 Å. There are two inequivalent In sites. In the first In site, In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.19 Å. In the second In site, In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.21 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 37–47°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. 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 1-coordinate geometry to one Sr, one In, and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Sr, one In, and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Sr and one P atom.},
doi = {10.17188/1684569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}