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Title: Materials Data on SrTaF7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268642· OSTI ID:1268642

SrTaF7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.51–2.95 Å. Ta5+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.94–2.03 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Ta5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Sr2+ and one Ta5+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Ta5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Ta5+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Ta5+ 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:
1268642
Report Number(s):
mp-555119
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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