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Title: Materials Data on Sr5W3O14 by Materials Project

Abstract

Sr5W3O14 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.80 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 2.43–3.15 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 2.44–3.00 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.82 Å. There are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are a spread of W–O bond distances rangingmore » from 1.91–2.00 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of W–O bond distances ranging from 1.93–2.02 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There are a spread of W–O bond distances ranging from 1.93–2.03 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the sixth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form a mixture of distorted corner and edge-sharing OSr3W tetrahedra. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one W6+ atom. In the eighth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form distorted corner-sharing OSr3W tetrahedra. In the ninth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form a mixture of distorted corner and edge-sharing OSr3W tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-779884
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; Sr5W3O14; O-Sr-W
OSTI Identifier:
1306583
DOI:
https://doi.org/10.17188/1306583

Citation Formats

The Materials Project. Materials Data on Sr5W3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306583.
The Materials Project. Materials Data on Sr5W3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1306583
The Materials Project. 2020. "Materials Data on Sr5W3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1306583. https://www.osti.gov/servlets/purl/1306583. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1306583,
title = {Materials Data on Sr5W3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5W3O14 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.80 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 2.43–3.15 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 2.44–3.00 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.82 Å. There are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are a spread of W–O bond distances ranging from 1.91–2.00 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of W–O bond distances ranging from 1.93–2.02 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There are a spread of W–O bond distances ranging from 1.93–2.03 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the sixth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form a mixture of distorted corner and edge-sharing OSr3W tetrahedra. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one W6+ atom. In the eighth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form distorted corner-sharing OSr3W tetrahedra. In the ninth O2- site, O2- is bonded to three Sr2+ and one W6+ atom to form a mixture of distorted corner and edge-sharing OSr3W tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two W6+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+ and one W6+ atom.},
doi = {10.17188/1306583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}