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Title: Materials Data on Sn3(OF)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288958· OSTI ID:1288958

Sn3(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sn3(OF)2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.24 Å. The Sn–F bond length is 2.10 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.33 Å) Sn–O bond lengths. In the third Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.20 Å. The Sn–F bond length is 2.11 Å. O2- is bonded to four Sn2+ atoms to form a mixture of distorted edge and corner-sharing OSn4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ 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:
1288958
Report Number(s):
mp-753246
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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