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Title: Materials Data on Sr2Si by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189350· OSTI ID:1189350

Sr2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Sr–Si bond lengths are 3.13 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing SrSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sr–Si bond lengths are 3.65 Å. Si4- is bonded in a distorted trigonal planar geometry to nine Sr2+ 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:
1189350
Report Number(s):
mp-13051
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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