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Title: Materials Data on Sr(BO4)2 by Materials Project

Abstract

Sr(BO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.94 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. There are four inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.43–1.47 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.43–1.46 Å. In the third B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.42–1.48 Å. In the fourth B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.42–1.48 Å. There are sixteen inequivalent O sites. In themore » first O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the third O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the fifth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Sr and one B atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the ninth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the twelfth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fifteenth O site, O is bonded in a single-bond geometry to two Sr and one B atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Sr and one B atom.« less

Publication Date:
Other Number(s):
mp-1204298
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; Sr(BO4)2; B-O-Sr
OSTI Identifier:
1679023
DOI:
https://doi.org/10.17188/1679023

Citation Formats

The Materials Project. Materials Data on Sr(BO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679023.
The Materials Project. Materials Data on Sr(BO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679023
The Materials Project. 2020. "Materials Data on Sr(BO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679023. https://www.osti.gov/servlets/purl/1679023. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1679023,
title = {Materials Data on Sr(BO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(BO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.94 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. There are four inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.43–1.47 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.43–1.46 Å. In the third B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.42–1.48 Å. In the fourth B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.42–1.48 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the third O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the fifth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Sr and one B atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the ninth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the twelfth O site, O is bonded in a single-bond geometry to one Sr and one B atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fifteenth O site, O is bonded in a single-bond geometry to two Sr and one B atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Sr and one B atom.},
doi = {10.17188/1679023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}