Materials Data on MgMoO9 by Materials Project
Abstract
MgMoO9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgMoO9 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with two equivalent MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.88–2.55 Å. In the second Mg site, Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with four equivalent MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.55 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 13–39°. There are a spread of Mo–O bond distances ranging from 1.74–1.87 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one Mo atom. In the second O site, O is bonded in a linear geometry to one Mg and one Mo atom. In the third O site, O is bonded in a single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180375
- 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; MgMoO9; Mg-Mo-O
- OSTI Identifier:
- 1677747
- DOI:
- https://doi.org/10.17188/1677747
Citation Formats
The Materials Project. Materials Data on MgMoO9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677747.
The Materials Project. Materials Data on MgMoO9 by Materials Project. United States. doi:https://doi.org/10.17188/1677747
The Materials Project. 2020.
"Materials Data on MgMoO9 by Materials Project". United States. doi:https://doi.org/10.17188/1677747. https://www.osti.gov/servlets/purl/1677747. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677747,
title = {Materials Data on MgMoO9 by Materials Project},
author = {The Materials Project},
abstractNote = {MgMoO9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgMoO9 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with two equivalent MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.88–2.55 Å. In the second Mg site, Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with four equivalent MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.55 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 13–39°. There are a spread of Mo–O bond distances ranging from 1.74–1.87 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one Mo atom. In the second O site, O is bonded in a linear geometry to one Mg and one Mo atom. In the third O site, O is bonded in a single-bond geometry to one Mo atom. In the fourth 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 fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.25 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Mg and one Mo atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1677747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}