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Title: Materials Data on CaSnS3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1311698· OSTI ID:1311698

CaSSSSn is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one 7440-31-5 molecule and one CaSSS framework. In the CaSSS framework, Ca2+ is bonded to six equivalent S2- atoms to form corner-sharing CaS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–S bond lengths are 2.60 Å. S2- is bonded in a linear geometry to two equivalent Ca2+ 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:
1311698
Report Number(s):
mp-866820
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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