Materials Data on Sr2MoO4 by Materials Project
Abstract
Sr2MoO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.85 Å. Mo4+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.01 Å) and two longer (2.13 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Mo4+ atom to form distorted OSr5Mo octahedra that share corners with seventeen OSr5Mo octahedra, edges with eight equivalent OSr5Mo octahedra, and faces with four equivalent OSr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mo4+ atoms to form distorted OSr4Mo2 octahedra that share corners with fourteen OSr5Mo octahedra, edges with two equivalent OSr4Mo2 octahedra, and faces with eight OSr5Mo octahedra. The corner-sharing octahedra tilt angles range from 0–56°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19237
- 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; Sr2MoO4; Mo-O-Sr
- OSTI Identifier:
- 1194095
- DOI:
- https://doi.org/10.17188/1194095
Citation Formats
The Materials Project. Materials Data on Sr2MoO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194095.
The Materials Project. Materials Data on Sr2MoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194095
The Materials Project. 2020.
"Materials Data on Sr2MoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194095. https://www.osti.gov/servlets/purl/1194095. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1194095,
title = {Materials Data on Sr2MoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2MoO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.85 Å. Mo4+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.01 Å) and two longer (2.13 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Mo4+ atom to form distorted OSr5Mo octahedra that share corners with seventeen OSr5Mo octahedra, edges with eight equivalent OSr5Mo octahedra, and faces with four equivalent OSr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mo4+ atoms to form distorted OSr4Mo2 octahedra that share corners with fourteen OSr5Mo octahedra, edges with two equivalent OSr4Mo2 octahedra, and faces with eight OSr5Mo octahedra. The corner-sharing octahedra tilt angles range from 0–56°.},
doi = {10.17188/1194095},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Apr 24 00:00:00 EDT 2020},
month = {Fri Apr 24 00:00:00 EDT 2020}
}