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Title: Materials Data on Ca(Ni2Sn)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262970· OSTI ID:1262970

CaNi4Sn2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Ca–Ni bond lengths are 3.05 Å. All Ca–Sn bond lengths are 3.51 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ca, four equivalent Ni, and four equivalent Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.75 Å. There are a spread of Ni–Sn bond distances ranging from 2.55–2.66 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Ca and eight equivalent Ni 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:
1262970
Report Number(s):
mp-510484
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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