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Title: Materials Data on In(IO4)3 by Materials Project

Abstract

In(O4I)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.17–2.21 Å. In the second In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.16–2.40 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.51 Å) O–I bond lengths. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.88 Å. In themore » fifth O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.56 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent I atoms. There are one shorter (1.86 Å) and one longer (2.47 Å) O–I bond lengths. In the seventh O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.36 Å. The O–I bond length is 2.16 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.86 Å. In the ninth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the tenth O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. The O–O bond length is 1.25 Å. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to four O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms. In the third I site, I is bonded in a 4-coordinate geometry to four O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1203701
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In(IO4)3; I-In-O
OSTI Identifier:
1731879
DOI:
https://doi.org/10.17188/1731879

Citation Formats

The Materials Project. Materials Data on In(IO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731879.
The Materials Project. Materials Data on In(IO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1731879
The Materials Project. 2020. "Materials Data on In(IO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1731879. https://www.osti.gov/servlets/purl/1731879. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731879,
title = {Materials Data on In(IO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In(O4I)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.17–2.21 Å. In the second In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.16–2.40 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.51 Å) O–I bond lengths. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.88 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.56 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent I atoms. There are one shorter (1.86 Å) and one longer (2.47 Å) O–I bond lengths. In the seventh O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.36 Å. The O–I bond length is 2.16 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.86 Å. In the ninth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the tenth O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. The O–O bond length is 1.25 Å. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to four O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms. In the third I site, I is bonded in a 4-coordinate geometry to four O atoms.},
doi = {10.17188/1731879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}