Materials Data on SnH6CI3N by Materials Project
Abstract
CH3NH3SnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four methylammonium molecules and one SnI3 framework. In the SnI3 framework, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 13–29°. There are four shorter (3.22 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Sn4+ atoms. In the second I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent Sn4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1094059
- 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; SnH6CI3N; C-H-I-N-Sn
- OSTI Identifier:
- 1672570
- DOI:
- https://doi.org/10.17188/1672570
Citation Formats
The Materials Project. Materials Data on SnH6CI3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672570.
The Materials Project. Materials Data on SnH6CI3N by Materials Project. United States. doi:https://doi.org/10.17188/1672570
The Materials Project. 2020.
"Materials Data on SnH6CI3N by Materials Project". United States. doi:https://doi.org/10.17188/1672570. https://www.osti.gov/servlets/purl/1672570. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672570,
title = {Materials Data on SnH6CI3N by Materials Project},
author = {The Materials Project},
abstractNote = {CH3NH3SnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four methylammonium molecules and one SnI3 framework. In the SnI3 framework, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 13–29°. There are four shorter (3.22 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Sn4+ atoms. In the second I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent Sn4+ atoms.},
doi = {10.17188/1672570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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