Materials Data on CsAsSe2 by Materials Project
Abstract
CsAsSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.73–4.23 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.79–4.04 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.34–2.52 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.35–2.49 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Cs1+ and one As3+ atom. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four Cs1+ and two As3+ atoms. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to four Cs1+ and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-581864
- 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; CsAsSe2; As-Cs-Se
- OSTI Identifier:
- 1276907
- DOI:
- https://doi.org/10.17188/1276907
Citation Formats
The Materials Project. Materials Data on CsAsSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276907.
The Materials Project. Materials Data on CsAsSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1276907
The Materials Project. 2020.
"Materials Data on CsAsSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1276907. https://www.osti.gov/servlets/purl/1276907. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276907,
title = {Materials Data on CsAsSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAsSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.73–4.23 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.79–4.04 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.34–2.52 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.35–2.49 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Cs1+ and one As3+ atom. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four Cs1+ and two As3+ atoms. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to four Cs1+ and one As3+ atom. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to three Cs1+ and two As3+ atoms.},
doi = {10.17188/1276907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}