U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd2HgO4 by Materials Project
Abstract
Gd2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.28–2.54 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 2.27–2.59 Å. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.02–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Gd3+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded to three equivalent Gd3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing OGd3Hg tetrahedra. In the third O2- site, O2- is bonded to three Gd3+ and one Hg2+ atom to form distorted OGd3Hg tetrahedra that share corners with eight OGd3Hg tetrahedra and edges with two equivalent OGd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+more »
- Publication Date:
- Other Number(s):
- mp-756040
- 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; crystal structure; Gd-Hg-O; Gd2HgO4
- OSTI Identifier:
- 1290328
- DOI:
- https://doi.org/10.17188/1290328
Citation Formats
Materials Data on Gd2HgO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290328.
Materials Data on Gd2HgO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290328
2020.
"Materials Data on Gd2HgO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290328. https://www.osti.gov/servlets/purl/1290328. Pub date:Fri Jul 17 20:00:00 EDT 2020
@article{osti_1290328,
title = {Materials Data on Gd2HgO4 by Materials Project},
abstractNote = {Gd2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.28–2.54 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 2.27–2.59 Å. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.02–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Gd3+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded to three equivalent Gd3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing OGd3Hg tetrahedra. In the third O2- site, O2- is bonded to three Gd3+ and one Hg2+ atom to form distorted OGd3Hg tetrahedra that share corners with eight OGd3Hg tetrahedra and edges with two equivalent OGd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.},
doi = {10.17188/1290328},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}