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Title: Materials Data on LaSnF7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193169· OSTI ID:1193169

LaSnF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of La–F bond distances ranging from 2.31–2.53 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.00 Å) and two longer (2.01 Å) Sn–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent La3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one La3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one La3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one La3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one La3+ and one Sn4+ 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:
1193169
Report Number(s):
mp-18566
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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