U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2Mo2O5 by Materials Project
Abstract
Mo2Zn2O5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.83–2.10 Å. In the second Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 2.07–2.14 Å. In the third Mo3+ site, Mo3+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.83–2.10 Å. In the fourth Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 2.07–2.14 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4007
- 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; Zn2Mo2O5; Mo-O-Zn
- OSTI Identifier:
- 1320833
- DOI:
- https://doi.org/10.17188/1320833
Citation Formats
The Materials Project. Materials Data on Zn2Mo2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320833.
The Materials Project. Materials Data on Zn2Mo2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320833
The Materials Project. 2020.
"Materials Data on Zn2Mo2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320833. https://www.osti.gov/servlets/purl/1320833. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320833,
title = {Materials Data on Zn2Mo2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2Zn2O5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.83–2.10 Å. In the second Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 2.07–2.14 Å. In the third Mo3+ site, Mo3+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.83–2.10 Å. In the fourth Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 2.07–2.14 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.91–2.16 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent MoO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.10 Å. In the third Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent MoO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.10 Å. In the fourth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent MoO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.91–2.16 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Mo3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Mo3+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mo3+ and two equivalent Zn2+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Mo3+ and two equivalent Zn2+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Mo3+ and two Zn2+ atoms to form corner-sharing OZn2Mo2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Mo3+ and two Zn2+ atoms to form corner-sharing OZn2Mo2 tetrahedra. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to one Mo3+ and two equivalent Zn2+ atoms. In the eighth O2- site, O2- is bonded to two equivalent Mo3+ and two Zn2+ atoms to form corner-sharing OZn2Mo2 tetrahedra. In the ninth O2- site, O2- is bonded in a linear geometry to two Mo3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Mo3+ and two Zn2+ atoms to form corner-sharing OZn2Mo2 tetrahedra.},
doi = {10.17188/1320833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}