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Title: Materials Data on Te2SO7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208480· OSTI ID:1208480

Te2SO7 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.95 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Te4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Te4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ 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:
1208480
Report Number(s):
mp-4906
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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