Materials Data on Sr(InSe2)2 by Materials Project
Abstract
SrIn2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.36 Å) Sr–Se bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.27 Å) and four longer (3.38 Å) Sr–Se bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.26–3.41 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Sr2+ and two In3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-21733
- 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; Sr(InSe2)2; In-Se-Sr
- OSTI Identifier:
- 1197143
- DOI:
- https://doi.org/10.17188/1197143
Citation Formats
The Materials Project. Materials Data on Sr(InSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197143.
The Materials Project. Materials Data on Sr(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197143
The Materials Project. 2020.
"Materials Data on Sr(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197143. https://www.osti.gov/servlets/purl/1197143. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1197143,
title = {Materials Data on Sr(InSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrIn2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.36 Å) Sr–Se bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.27 Å) and four longer (3.38 Å) Sr–Se bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.26–3.41 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the second Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms.},
doi = {10.17188/1197143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}