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Title: Materials Data on Sb4I2O5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1301155· OSTI ID:1301155

Sb4O5I2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.09 Å. There are one shorter (3.26 Å) and one longer (3.56 Å) Sb–I bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.51 Å. There are one shorter (3.50 Å) and one longer (3.56 Å) Sb–I bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sb3+ atoms. I1- is bonded in a 8-coordinate geometry to four Sb3+ 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:
1301155
Report Number(s):
mp-772282
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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