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Title: Materials Data on SrZn(SeO3)2 by Materials Project

Abstract

SrZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.09 Å. Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.67 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.76 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.75 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Zn2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the fourthmore » O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded to three equivalent Sr2+ and one Se4+ atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, two equivalent Zn2+, and one Se4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555691
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; SrZn(SeO3)2; O-Se-Sr-Zn
OSTI Identifier:
1268938
DOI:
10.17188/1268938

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrZn(SeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268938.
Persson, Kristin, & Project, Materials. Materials Data on SrZn(SeO3)2 by Materials Project. United States. doi:10.17188/1268938.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrZn(SeO3)2 by Materials Project". United States. doi:10.17188/1268938. https://www.osti.gov/servlets/purl/1268938. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268938,
title = {Materials Data on SrZn(SeO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.09 Å. Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.67 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.76 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.75 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Zn2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Zn2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded to three equivalent Sr2+ and one Se4+ atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, two equivalent Zn2+, and one Se4+ atom.},
doi = {10.17188/1268938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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