U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In4(SnO4)3 by Materials Project
Abstract
In4Sn3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four 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 2.13–2.71 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 2.15–2.69 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 2.11–2.61 Å. In the fourth 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 2.14–2.72 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.11 Å. In the second Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.06–2.23 Å. In the third Sn4+ site, Sn4+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-676320
- 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; In4(SnO4)3; In-O-Sn
- OSTI Identifier:
- 1283013
- DOI:
- https://doi.org/10.17188/1283013
Citation Formats
The Materials Project. Materials Data on In4(SnO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283013.
The Materials Project. Materials Data on In4(SnO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1283013
The Materials Project. 2020.
"Materials Data on In4(SnO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1283013. https://www.osti.gov/servlets/purl/1283013. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1283013,
title = {Materials Data on In4(SnO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In4Sn3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four 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 2.13–2.71 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 2.15–2.69 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 2.11–2.61 Å. In the fourth 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 2.14–2.72 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.11 Å. In the second Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.06–2.23 Å. In the third Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.06–2.22 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and one Sn4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one In3+ and two Sn4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with six OIn2Sn2 tetrahedra and edges with three OIn3Sn tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent In3+ and two Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the seventh O2- site, O2- is bonded to two In3+ and two equivalent Sn4+ atoms to form distorted OIn2Sn2 tetrahedra that share corners with six OIn3Sn tetrahedra and edges with three OIn2Sn2 tetrahedra. In the eighth O2- site, O2- is bonded to two In3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OIn2Sn2 tetrahedra. In the ninth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form a mixture of corner and edge-sharing OIn3Sn tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sn4+ atom. In the eleventh O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing OIn3Sn tetrahedra. In the twelfth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing OIn3Sn tetrahedra.},
doi = {10.17188/1283013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}