DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr2CrClO4 by Materials Project

Abstract

Sr2(CrO4)Cl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.73 Å. There are one shorter (2.98 Å) and one longer (3.17 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.66 Å. Both Sr–Cl bond lengths are 3.09 Å. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Cr5+ atom. Cl1- is bonded in a distorted see-saw-like geometry to four Sr2+ atoms.

Publication Date:
Other Number(s):
mp-693892
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; Sr2CrClO4; Cl-Cr-O-Sr
OSTI Identifier:
1284663
DOI:
https://doi.org/10.17188/1284663

Citation Formats

The Materials Project. Materials Data on Sr2CrClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284663.
The Materials Project. Materials Data on Sr2CrClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1284663
The Materials Project. 2020. "Materials Data on Sr2CrClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1284663. https://www.osti.gov/servlets/purl/1284663. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1284663,
title = {Materials Data on Sr2CrClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2(CrO4)Cl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.73 Å. There are one shorter (2.98 Å) and one longer (3.17 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.66 Å. Both Sr–Cl bond lengths are 3.09 Å. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Cr5+ atom. Cl1- is bonded in a distorted see-saw-like geometry to four Sr2+ atoms.},
doi = {10.17188/1284663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}