U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2CoWO6 by Materials Project
Abstract
Ca2CoWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–3.10 Å. In the second Ca2+ site, Ca2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–3.10 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Co–O bond distances ranging from 2.00–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5737
- 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; Ca2CoWO6; Ca-Co-O-W
- OSTI Identifier:
- 1321507
- DOI:
- https://doi.org/10.17188/1321507
Citation Formats
The Materials Project. Materials Data on Ca2CoWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321507.
The Materials Project. Materials Data on Ca2CoWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321507
The Materials Project. 2020.
"Materials Data on Ca2CoWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321507. https://www.osti.gov/servlets/purl/1321507. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1321507,
title = {Materials Data on Ca2CoWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2CoWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–3.10 Å. In the second Ca2+ site, Ca2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–3.10 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Co–O bond distances ranging from 2.00–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom.},
doi = {10.17188/1321507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}