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Title: Materials Data on Co(IO4)2 by Materials Project

Abstract

Co(O4I)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Co(O4I)2 sheet oriented in the (1, 1, 0) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.74–1.94 Å. In the second Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.76–1.93 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the third 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 fourth O site, O is bonded in a single-bond geometry to one Co atom. In the fifth O site, O is bonded in amore » water-like geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to two I atoms. There are one shorter (1.81 Å) and one longer (2.50 Å) O–I bond lengths. In the eighth O site, O is bonded in a single-bond geometry to one Co atom. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to four O atoms. In the second I site, I is bonded in a 6-coordinate geometry to three O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191448
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; Co(IO4)2; Co-I-O
OSTI Identifier:
1711157
DOI:
https://doi.org/10.17188/1711157

Citation Formats

The Materials Project. Materials Data on Co(IO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711157.
The Materials Project. Materials Data on Co(IO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711157
The Materials Project. 2019. "Materials Data on Co(IO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711157. https://www.osti.gov/servlets/purl/1711157. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1711157,
title = {Materials Data on Co(IO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co(O4I)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Co(O4I)2 sheet oriented in the (1, 1, 0) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.74–1.94 Å. In the second Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.76–1.93 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the third 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 fourth O site, O is bonded in a single-bond geometry to one Co atom. In the fifth O site, O is bonded in a water-like geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to two I atoms. There are one shorter (1.81 Å) and one longer (2.50 Å) O–I bond lengths. In the eighth O site, O is bonded in a single-bond geometry to one Co atom. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to four O atoms. In the second I site, I is bonded in a 6-coordinate geometry to three O atoms.},
doi = {10.17188/1711157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}