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Title: Materials Data on Ti(ClO4)4 by Materials Project

Abstract

Ti(O4Cl)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Ti(O4Cl)4 clusters. Ti is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ti–O bond distances ranging from 2.08–2.14 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.52 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.55 Å. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the sixth O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.52 Å. In the seventh O site, Omore » is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.54 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28481
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; Ti(ClO4)4; Cl-O-Ti
OSTI Identifier:
1202580
DOI:
https://doi.org/10.17188/1202580

Citation Formats

The Materials Project. Materials Data on Ti(ClO4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202580.
The Materials Project. Materials Data on Ti(ClO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1202580
The Materials Project. 2020. "Materials Data on Ti(ClO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1202580. https://www.osti.gov/servlets/purl/1202580. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202580,
title = {Materials Data on Ti(ClO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti(O4Cl)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Ti(O4Cl)4 clusters. Ti is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ti–O bond distances ranging from 2.08–2.14 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.52 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.55 Å. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the sixth O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.52 Å. In the seventh O site, O is bonded in a water-like geometry to one Ti and one Cl atom. The O–Cl bond length is 1.54 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.},
doi = {10.17188/1202580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}