U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe(MoO5)2 by Materials Project
Abstract
Fe(MoO5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Fe(MoO5)2 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.31 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.48 Å. Fe is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.82–2.47 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one O atom. In the third O site, O is bonded in a linear geometry to one Mo and one Fe atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth Omore »
- Publication Date:
- Other Number(s):
- mp-1181634
- 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; Fe(MoO5)2; Fe-Mo-O; crystal structure
- OSTI Identifier:
- 1654029
- DOI:
- https://doi.org/10.17188/1654029
Citation Formats
Materials Data on Fe(MoO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654029.
Materials Data on Fe(MoO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1654029
2020.
"Materials Data on Fe(MoO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1654029. https://www.osti.gov/servlets/purl/1654029. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1654029,
title = {Materials Data on Fe(MoO5)2 by Materials Project},
abstractNote = {Fe(MoO5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Fe(MoO5)2 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.31 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.48 Å. Fe is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.82–2.47 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one O atom. In the third O site, O is bonded in a linear geometry to one Mo and one Fe atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mo and one Fe atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Mo atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Mo and one Fe atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom.},
doi = {10.17188/1654029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}