U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba(ClO4)2 by Materials Project
Abstract
Ba(ClO4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent ClO4 tetrahedra, edges with four equivalent BaO12 cuboctahedra, and edges with two equivalent ClO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.94–3.02 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ba and one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with four equivalent BaO12 cuboctahedra and an edgeedge with one BaO12 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190390
- 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; Ba(ClO4)2; Ba-Cl-O
- OSTI Identifier:
- 1727099
- DOI:
- https://doi.org/10.17188/1727099
Citation Formats
The Materials Project. Materials Data on Ba(ClO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727099.
The Materials Project. Materials Data on Ba(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1727099
The Materials Project. 2020.
"Materials Data on Ba(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1727099. https://www.osti.gov/servlets/purl/1727099. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1727099,
title = {Materials Data on Ba(ClO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(ClO4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent ClO4 tetrahedra, edges with four equivalent BaO12 cuboctahedra, and edges with two equivalent ClO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.94–3.02 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ba and one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with four equivalent BaO12 cuboctahedra and an edgeedge with one BaO12 cuboctahedra.},
doi = {10.17188/1727099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}