U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2GdMoO6 by Materials Project
Abstract
Sr2GdMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.02 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are two shorter (2.28 Å) and four longer (2.30 Å) Gd–O bond lengths. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are a spread of Mo–O bond distances ranging from 2.00–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Mo5+ atom to form distorted corner-sharing OSr2GdMo tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105454
- 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; Sr2GdMoO6; Gd-Mo-O-Sr
- OSTI Identifier:
- 1654880
- DOI:
- https://doi.org/10.17188/1654880
Citation Formats
The Materials Project. Materials Data on Sr2GdMoO6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1654880.
The Materials Project. Materials Data on Sr2GdMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1654880
The Materials Project. 2018.
"Materials Data on Sr2GdMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1654880. https://www.osti.gov/servlets/purl/1654880. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1654880,
title = {Materials Data on Sr2GdMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2GdMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.02 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are two shorter (2.28 Å) and four longer (2.30 Å) Gd–O bond lengths. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are a spread of Mo–O bond distances ranging from 2.00–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Mo5+ atom to form distorted corner-sharing OSr2GdMo tetrahedra.},
doi = {10.17188/1654880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}