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Title: Materials Data on Ca(ClO3)2 by Materials Project

Abstract

Ca(ClO3)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.53 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.49 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.50 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

Authors:
Publication Date:
Other Number(s):
mp-753813
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; Ca(ClO3)2; Ca-Cl-O
OSTI Identifier:
1289148
DOI:
https://doi.org/10.17188/1289148

Citation Formats

The Materials Project. Materials Data on Ca(ClO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289148.
The Materials Project. Materials Data on Ca(ClO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1289148
The Materials Project. 2020. "Materials Data on Ca(ClO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1289148. https://www.osti.gov/servlets/purl/1289148. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289148,
title = {Materials Data on Ca(ClO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(ClO3)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.53 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.49 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.50 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1289148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}