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Title: Materials Data on SrMnSb2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1678310· OSTI ID:1678310

SrMnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Sr–Sb bond distances ranging from 3.45–3.53 Å. Mn2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing MnSb4 tetrahedra. There are a spread of Mn–Sb bond distances ranging from 2.72–2.75 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Mn2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Sb2- atoms. There are two shorter (2.95 Å) and two longer (3.41 Å) Sb–Sb bond lengths.

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:
1678310
Report Number(s):
mp-1208681
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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