Materials Data on SnH6CI3N by Materials Project
CH3NH3SnI3 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of four methylammonium molecules and one SnI3 framework. In the SnI3 framework, there are four inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.32 Å. In the second Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.05–3.23 Å. In the third Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.32 Å. In the fourth Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.26 Å. There are twelve inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the second I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the third I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the fourth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the fifth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the sixth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the seventh I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the eighth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the ninth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the tenth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the eleventh I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the twelfth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1317049
- Report Number(s):
- mp-995238
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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