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Title: Materials Data on SrMg3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313678· OSTI ID:1313678

SrMg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. In the second Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.33 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.33 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg 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:
1313678
Report Number(s):
mp-971944
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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