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Title: Materials Data on InSiTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274136· OSTI ID:1274136

InSiTe3 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one InSiTe3 sheet oriented in the (0, 0, 1) direction. In2+ is bonded to six equivalent Te2- atoms to form edge-sharing InTe6 octahedra. All In–Te bond lengths are 3.06 Å. Si4+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Si–Te bond lengths are 2.53 Å. Te2- is bonded in a 3-coordinate geometry to two equivalent In2+ and one Si4+ atom.

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:
1274136
Report Number(s):
mp-567931
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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