U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd4PdO7 by Materials Project
Abstract
Gd4PdO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.87 Å. In the third Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.76 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.64 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Pd–O bond lengths. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213473
- 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; Gd4PdO7; Gd-O-Pd
- OSTI Identifier:
- 1686891
- DOI:
- https://doi.org/10.17188/1686891
Citation Formats
The Materials Project. Materials Data on Gd4PdO7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1686891.
The Materials Project. Materials Data on Gd4PdO7 by Materials Project. United States. doi:https://doi.org/10.17188/1686891
The Materials Project. 2019.
"Materials Data on Gd4PdO7 by Materials Project". United States. doi:https://doi.org/10.17188/1686891. https://www.osti.gov/servlets/purl/1686891. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1686891,
title = {Materials Data on Gd4PdO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd4PdO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.87 Å. In the third Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.76 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.64 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Pd–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ and one Pd2+ atom to form distorted OGd4Pd square pyramids that share a cornercorner with one OGd4Pd square pyramid, corners with six OGd4 tetrahedra, an edgeedge with one OGd4Pd square pyramid, and edges with two equivalent OGd4 tetrahedra. In the second O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with three equivalent OGd4Pd square pyramids, corners with four OGd4 tetrahedra, and edges with three OGd4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Gd3+ atoms. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with four OGd4 tetrahedra, edges with two equivalent OGd4Pd square pyramids, and edges with two OGd4 tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Gd3+ and two Pd2+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Gd3+ and one Pd2+ atom. In the seventh O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with three equivalent OGd4Pd square pyramids, corners with four OGd4 tetrahedra, and edges with three OGd4 tetrahedra.},
doi = {10.17188/1686891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}