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Title: Materials Data on SrAsO4 by Materials Project

Abstract

SrAsO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.65 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.62 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.13 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.67 Å. In the fifth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.84 Å. In the sixth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.83 Å. In the seventh Sr site, Sr is bonded in a 8-coordinate geometry to eightmore » O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.80 Å. In the eighth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.80 Å. There are eight inequivalent As sites. In the first As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the third As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the fourth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the fifth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the sixth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the seventh As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the eighth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fifth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the sixth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the seventh O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the eighth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the fifteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the sixteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to one Sr and one As atom. In the eighteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the nineteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the twentieth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-first O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-fifth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-sixth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-seventh O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-eighth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirtieth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-first O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-second O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom.« less

Publication Date:
Other Number(s):
mp-1196121
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; SrAsO4; As-O-Sr
OSTI Identifier:
1694827
DOI:
https://doi.org/10.17188/1694827

Citation Formats

The Materials Project. Materials Data on SrAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694827.
The Materials Project. Materials Data on SrAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1694827
The Materials Project. 2020. "Materials Data on SrAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1694827. https://www.osti.gov/servlets/purl/1694827. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694827,
title = {Materials Data on SrAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAsO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.65 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.62 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.13 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.67 Å. In the fifth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.84 Å. In the sixth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.83 Å. In the seventh Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.80 Å. In the eighth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.80 Å. There are eight inequivalent As sites. In the first As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the third As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the fourth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the fifth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the sixth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the seventh As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the eighth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fifth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the sixth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the seventh O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the eighth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the fifteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the sixteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to one Sr and one As atom. In the eighteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the nineteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the twentieth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-first O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-fifth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-sixth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-seventh O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-eighth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirtieth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-first O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-second O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom.},
doi = {10.17188/1694827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}