Materials Data on Cs2Sn(H2N)6 by Materials Project
Abstract
Cs2Sn(NH2)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded to three equivalent N3- and nine H1+ atoms to form distorted CsH9N3 cuboctahedra that share corners with three equivalent SnN6 octahedra and edges with three equivalent CsH9N3 cuboctahedra. The corner-sharing octahedral tilt angles are 74°. All Cs–N bond lengths are 3.21 Å. There are a spread of Cs–H bond distances ranging from 3.13–3.27 Å. Sn4+ is bonded to six equivalent N3- atoms to form SnN6 octahedra that share corners with six equivalent CsH9N3 cuboctahedra. All Sn–N bond lengths are 2.22 Å. N3- is bonded in a distorted water-like geometry to one Cs1+, one Sn4+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Cs1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505233
- 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; Cs2Sn(H2N)6; Cs-H-N-Sn
- OSTI Identifier:
- 1262389
- DOI:
- https://doi.org/10.17188/1262389
Citation Formats
The Materials Project. Materials Data on Cs2Sn(H2N)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262389.
The Materials Project. Materials Data on Cs2Sn(H2N)6 by Materials Project. United States. doi:https://doi.org/10.17188/1262389
The Materials Project. 2020.
"Materials Data on Cs2Sn(H2N)6 by Materials Project". United States. doi:https://doi.org/10.17188/1262389. https://www.osti.gov/servlets/purl/1262389. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262389,
title = {Materials Data on Cs2Sn(H2N)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Sn(NH2)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded to three equivalent N3- and nine H1+ atoms to form distorted CsH9N3 cuboctahedra that share corners with three equivalent SnN6 octahedra and edges with three equivalent CsH9N3 cuboctahedra. The corner-sharing octahedral tilt angles are 74°. All Cs–N bond lengths are 3.21 Å. There are a spread of Cs–H bond distances ranging from 3.13–3.27 Å. Sn4+ is bonded to six equivalent N3- atoms to form SnN6 octahedra that share corners with six equivalent CsH9N3 cuboctahedra. All Sn–N bond lengths are 2.22 Å. N3- is bonded in a distorted water-like geometry to one Cs1+, one Sn4+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Cs1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom.},
doi = {10.17188/1262389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}