U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThCrO7 by Materials Project
Abstract
(ThCrO6)2O2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two water molecules and one ThCrO6 framework. In the ThCrO6 framework, Th is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.36–2.40 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.66 Å) and one longer (1.67 Å) Cr–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Th and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the third O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one Cr atom.
- Publication Date:
- Other Number(s):
- mp-1189314
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cr-O-Th; ThCrO7; crystal structure
- OSTI Identifier:
- 1718577
- DOI:
- https://doi.org/10.17188/1718577
Citation Formats
Materials Data on ThCrO7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718577.
Materials Data on ThCrO7 by Materials Project. United States. doi:https://doi.org/10.17188/1718577
2019.
"Materials Data on ThCrO7 by Materials Project". United States. doi:https://doi.org/10.17188/1718577. https://www.osti.gov/servlets/purl/1718577. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1718577,
title = {Materials Data on ThCrO7 by Materials Project},
abstractNote = {(ThCrO6)2O2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two water molecules and one ThCrO6 framework. In the ThCrO6 framework, Th is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.36–2.40 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.66 Å) and one longer (1.67 Å) Cr–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Th and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the third O site, O is bonded in a distorted linear geometry to one Th and one Cr atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one Cr atom.},
doi = {10.17188/1718577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}