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Title: Materials Data on Sr11(OsO6)4 by Materials Project

Abstract

Sr11(OsO6)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.95 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.95 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.76 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.75 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.94 Å. In the sixth Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share faces with four OsO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.64–3.18 Å. In the seventh Sr2+ site, Sr2+more » is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.93 Å. There are four inequivalent Os+6.50+ sites. In the first Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.91 Å) and four longer (1.92 Å) Os–O bond length. In the second Os+6.50+ site, Os+6.50+ is bonded to six O2- atoms to form OsO6 octahedra that share faces with two equivalent SrO12 cuboctahedra. There are a spread of Os–O bond distances ranging from 1.91–2.00 Å. In the third Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.91 Å) and four longer (1.92 Å) Os–O bond length. In the fourth Os+6.50+ site, Os+6.50+ is bonded to six O2- atoms to form OsO6 octahedra that share faces with two equivalent SrO12 cuboctahedra. There are a spread of Os–O bond distances ranging from 1.91–2.00 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Os+6.50+ atom to form distorted corner-sharing OSr3Os tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and one Os+6.50+ atom to form distorted corner-sharing OSr3Os tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Os+6.50+ atom. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Os+6.50+ atom.« less

Publication Date:
Other Number(s):
mp-556809
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; Sr11(OsO6)4; O-Os-Sr
OSTI Identifier:
1269550
DOI:
10.17188/1269550

Citation Formats

The Materials Project. Materials Data on Sr11(OsO6)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269550.
The Materials Project. Materials Data on Sr11(OsO6)4 by Materials Project. United States. doi:10.17188/1269550.
The Materials Project. 2020. "Materials Data on Sr11(OsO6)4 by Materials Project". United States. doi:10.17188/1269550. https://www.osti.gov/servlets/purl/1269550. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269550,
title = {Materials Data on Sr11(OsO6)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr11(OsO6)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.95 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.95 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.76 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.75 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.94 Å. In the sixth Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share faces with four OsO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.64–3.18 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.93 Å. There are four inequivalent Os+6.50+ sites. In the first Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.91 Å) and four longer (1.92 Å) Os–O bond length. In the second Os+6.50+ site, Os+6.50+ is bonded to six O2- atoms to form OsO6 octahedra that share faces with two equivalent SrO12 cuboctahedra. There are a spread of Os–O bond distances ranging from 1.91–2.00 Å. In the third Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.91 Å) and four longer (1.92 Å) Os–O bond length. In the fourth Os+6.50+ site, Os+6.50+ is bonded to six O2- atoms to form OsO6 octahedra that share faces with two equivalent SrO12 cuboctahedra. There are a spread of Os–O bond distances ranging from 1.91–2.00 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Os+6.50+ atom to form distorted corner-sharing OSr3Os tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and one Os+6.50+ atom to form distorted corner-sharing OSr3Os tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Os+6.50+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Os+6.50+ atom. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Os+6.50+ atom. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Os+6.50+ atom.},
doi = {10.17188/1269550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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