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Title: Materials Data on BaSr7V8(Si2O7)8 by Materials Project

Abstract

BaSr7V8(Si2O7)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.03 Å. There are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.04 Å. In the second Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the third Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the fourth Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the fifth Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.04 Å. There are five inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry tomore » five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the second V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the third V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the fourth V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the fifth V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. There are seven inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the fifth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the seventh Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the second O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the third O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the fourth O site, O is bonded in a single-bond geometry to one Ba and one V atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ba, one Sr, and two equivalent Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Sr and two equivalent Si atoms. In the seventh O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the eighth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the ninth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the tenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Sr and two Si atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the thirteenth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the fourteenth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the fifteenth O site, O is bonded in a linear geometry to two Si atoms. In the sixteenth O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the seventeenth O site, O is bonded in a linear geometry to two Si atoms. In the eighteenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the nineteenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twentieth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twenty-first O site, O is bonded in a bent 150 degrees geometry to two Sr and two Si atoms. In the twenty-second O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the twenty-third O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twenty-fourth O site, O is bonded in a linear geometry to two Si atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-778499
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; BaSr7V8(Si2O7)8; Ba-O-Si-Sr-V
OSTI Identifier:
1305585
DOI:
https://doi.org/10.17188/1305585

Citation Formats

The Materials Project. Materials Data on BaSr7V8(Si2O7)8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305585.
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The Materials Project. Materials Data on BaSr7V8(Si2O7)8 by Materials Project. United States. doi:https://doi.org/10.17188/1305585
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The Materials Project. 2020. "Materials Data on BaSr7V8(Si2O7)8 by Materials Project". United States. doi:https://doi.org/10.17188/1305585. https://www.osti.gov/servlets/purl/1305585. Pub date:Fri May 29 00:00:00 EDT 2020
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@article{osti_1305585,
title = {Materials Data on BaSr7V8(Si2O7)8 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSr7V8(Si2O7)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.03 Å. There are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.04 Å. In the second Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the third Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the fourth Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.05 Å. In the fifth Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.04 Å. There are five inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the second V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the third V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the fourth V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. In the fifth V site, V is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. There are seven inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the fifth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the seventh Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the second O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the third O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the fourth O site, O is bonded in a single-bond geometry to one Ba and one V atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ba, one Sr, and two equivalent Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Sr and two equivalent Si atoms. In the seventh O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the eighth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the ninth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the tenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Sr and two Si atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the thirteenth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the fourteenth O site, O is bonded in a 4-coordinate geometry to one Ba, one Sr, one V, and one Si atom. In the fifteenth O site, O is bonded in a linear geometry to two Si atoms. In the sixteenth O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the seventeenth O site, O is bonded in a linear geometry to two Si atoms. In the eighteenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the nineteenth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twentieth O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twenty-first O site, O is bonded in a bent 150 degrees geometry to two Sr and two Si atoms. In the twenty-second O site, O is bonded in a single-bond geometry to one Sr and one V atom. In the twenty-third O site, O is bonded in a 4-coordinate geometry to two Sr, one V, and one Si atom. In the twenty-fourth O site, O is bonded in a linear geometry to two Si atoms.},
doi = {10.17188/1305585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1305585
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