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Title: Materials Data on SrV2TeO8 by Materials Project

Abstract

SrV2TeO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first 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 2.57–3.16 Å. In the second 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 2.53–3.04 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 2.44–2.93 Å. In the fourth 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 2.55–3.08 Å. There are eight inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.06 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.82 Å. In the third V5+ site, V5+ is bondedmore » to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. In the fourth V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. In the fifth V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.66–1.82 Å. In the sixth V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.04 Å. In the seventh V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.85 Å. In the eighth V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.82 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.99 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.61 Å. In the third Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–3.00 Å. In the fourth Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–1.99 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+, one V5+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one V5+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one V5+, and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two V5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one Te4+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Te4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Te4+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Te4+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Te4+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one V5+, and one Te4+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one V5+, and one Te4+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the thirty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two V5+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one V5+, and one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198767
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrV2TeO8; O-Sr-Te-V
OSTI Identifier:
1727461
DOI:
https://doi.org/10.17188/1727461

Citation Formats

The Materials Project. Materials Data on SrV2TeO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727461.
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The Materials Project. Materials Data on SrV2TeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1727461
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The Materials Project. 2020. "Materials Data on SrV2TeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1727461. https://www.osti.gov/servlets/purl/1727461. Pub date:Thu Apr 30 00:00:00 EDT 2020
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@article{osti_1727461,
title = {Materials Data on SrV2TeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {SrV2TeO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first 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 2.57–3.16 Å. In the second 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 2.53–3.04 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 2.44–2.93 Å. In the fourth 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 2.55–3.08 Å. There are eight inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.06 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.82 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. In the fourth V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. In the fifth V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.66–1.82 Å. In the sixth V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.04 Å. In the seventh V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.85 Å. In the eighth V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.82 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.99 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.61 Å. In the third Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–3.00 Å. In the fourth Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–1.99 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+, one V5+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one V5+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one V5+, and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two V5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one Te4+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Te4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Te4+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one Te4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Te4+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Te4+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one V5+, and one Te4+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one V5+, and one Te4+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one V5+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the thirty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two V5+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one V5+, and one Te4+ atom.},
doi = {10.17188/1727461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1727461
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