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Title: Materials Data on In11(SbO8)3 by Materials Project

Abstract

In11(SbO8)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.10–2.63 Å. In the second In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.12–2.74 Å. In the third In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.09–2.71 Å. In the fourth In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.14–2.31 Å. In the fifth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.63 Å. In the sixth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.72 Å. In the seventh In3+ site, In3+ is bonded in a 7-coordinate geometry to sevenmore » O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.64 Å. In the eighth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.70 Å. In the ninth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.09–2.62 Å. In the tenth In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.27 Å. In the eleventh In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.10–2.65 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.10 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.08 Å. In the third Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.14 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three In3+ and one Sb5+ atom. In the third O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the sixth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the seventh O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the eighth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the tenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OIn3Sb tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three In3+ and one Sb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Sb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Sb5+ atoms. In the fifteenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OIn3Sb tetrahedra. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the seventeenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of edge and corner-sharing OIn3Sb tetrahedra. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the nineteenth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the twentieth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the twenty-second O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two In3+ and one Sb5+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-674374
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; In11(SbO8)3; In-O-Sb
OSTI Identifier:
1282489
DOI:
10.17188/1282489

Citation Formats

The Materials Project. Materials Data on In11(SbO8)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282489.
The Materials Project. Materials Data on In11(SbO8)3 by Materials Project. United States. doi:10.17188/1282489.
The Materials Project. 2020. "Materials Data on In11(SbO8)3 by Materials Project". United States. doi:10.17188/1282489. https://www.osti.gov/servlets/purl/1282489. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282489,
title = {Materials Data on In11(SbO8)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In11(SbO8)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.10–2.63 Å. In the second In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.12–2.74 Å. In the third In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.09–2.71 Å. In the fourth In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.14–2.31 Å. In the fifth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.63 Å. In the sixth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.72 Å. In the seventh In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.64 Å. In the eighth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.70 Å. In the ninth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.09–2.62 Å. In the tenth In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.27 Å. In the eleventh In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.10–2.65 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.10 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.08 Å. In the third Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.14 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three In3+ and one Sb5+ atom. In the third O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the sixth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the seventh O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the eighth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the tenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OIn3Sb tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three In3+ and one Sb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Sb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Sb5+ atoms. In the fifteenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OIn3Sb tetrahedra. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the seventeenth O2- site, O2- is bonded to three In3+ and one Sb5+ atom to form a mixture of edge and corner-sharing OIn3Sb tetrahedra. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the nineteenth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the twentieth O2- site, O2- is bonded to four In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom. In the twenty-second O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two In3+ and one Sb5+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sb5+ atom.},
doi = {10.17188/1282489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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