U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaMo2O5 by Materials Project
Abstract
CaMo2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.97 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.85–2.28 Å. In the second Mo4+ site, Mo4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.85–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two Mo4+ atoms to form distorted corner-sharing OCa2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three equivalent Mo4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Mo4+more »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4973
- 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; CaMo2O5; Ca-Mo-O
- OSTI Identifier:
- 1321193
- DOI:
- https://doi.org/10.17188/1321193
Citation Formats
The Materials Project. Materials Data on CaMo2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321193.
The Materials Project. Materials Data on CaMo2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1321193
The Materials Project. 2020.
"Materials Data on CaMo2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1321193. https://www.osti.gov/servlets/purl/1321193. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1321193,
title = {Materials Data on CaMo2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMo2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.97 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.85–2.28 Å. In the second Mo4+ site, Mo4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.85–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two Mo4+ atoms to form distorted corner-sharing OCa2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three equivalent Mo4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Mo4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Mo4+ atom.},
doi = {10.17188/1321193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}