U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca(ClO3)2 by Materials Project
Abstract
Ca(ClO3)2 crystallizes in the monoclinic P2_1/c 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 2.36–2.82 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.52 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 1.51 Å. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.52 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.49 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.51 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ca andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-768870
- 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:
- 1298534
- DOI:
- https://doi.org/10.17188/1298534
Citation Formats
The Materials Project. Materials Data on Ca(ClO3)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1298534.
The Materials Project. Materials Data on Ca(ClO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1298534
The Materials Project. 2017.
"Materials Data on Ca(ClO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1298534. https://www.osti.gov/servlets/purl/1298534. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1298534,
title = {Materials Data on Ca(ClO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(ClO3)2 crystallizes in the monoclinic P2_1/c 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 2.36–2.82 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.52 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 1.51 Å. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.52 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.49 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.51 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1298534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jun 07 00:00:00 EDT 2017},
month = {Wed Jun 07 00:00:00 EDT 2017}
}