U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd(BiO2)4 by Materials Project
Abstract
Gd(BiO2)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Gd–O bond distances ranging from 2.34–2.47 Å. There are four inequivalent Bi+3.25+ sites. In the first Bi+3.25+ site, Bi+3.25+ is bonded to six O2- atoms to form BiO6 octahedra that share a cornercorner with one GdO7 pentagonal bipyramid, a cornercorner with one BiO7 pentagonal bipyramid, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.34 Å. In the second Bi+3.25+ site, Bi+3.25+ is bonded to seven O2- atoms to form distorted BiO7 pentagonal bipyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-756698
- 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; Gd(BiO2)4; Bi-Gd-O
- OSTI Identifier:
- 1290598
- DOI:
- https://doi.org/10.17188/1290598
Citation Formats
The Materials Project. Materials Data on Gd(BiO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290598.
The Materials Project. Materials Data on Gd(BiO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1290598
The Materials Project. 2020.
"Materials Data on Gd(BiO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1290598. https://www.osti.gov/servlets/purl/1290598. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1290598,
title = {Materials Data on Gd(BiO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd(BiO2)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Gd–O bond distances ranging from 2.34–2.47 Å. There are four inequivalent Bi+3.25+ sites. In the first Bi+3.25+ site, Bi+3.25+ is bonded to six O2- atoms to form BiO6 octahedra that share a cornercorner with one GdO7 pentagonal bipyramid, a cornercorner with one BiO7 pentagonal bipyramid, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.34 Å. In the second Bi+3.25+ site, Bi+3.25+ is bonded to seven O2- atoms to form distorted BiO7 pentagonal bipyramids that share a cornercorner with one BiO6 octahedra, edges with two equivalent BiO6 octahedra, edges with two equivalent GdO7 pentagonal bipyramids, and edges with two equivalent BiO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Bi–O bond distances ranging from 2.35–2.61 Å. In the third Bi+3.25+ site, Bi+3.25+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.55 Å. In the fourth Bi+3.25+ site, Bi+3.25+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.55 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two Bi+3.25+ atoms to form OGd2Bi2 tetrahedra that share corners with thirteen OGd2Bi2 tetrahedra and edges with five OGdBi3 tetrahedra. In the second O2- site, O2- is bonded to one Gd3+ and three Bi+3.25+ atoms to form a mixture of distorted edge and corner-sharing OGdBi3 tetrahedra. In the third O2- site, O2- is bonded to four Bi+3.25+ atoms to form distorted OBi4 tetrahedra that share corners with thirteen OGd2Bi2 tetrahedra and edges with four OGdBi3 tetrahedra. In the fourth O2- site, O2- is bonded to one Gd3+ and three Bi+3.25+ atoms to form distorted OGdBi3 tetrahedra that share corners with thirteen OGd2Bi2 tetrahedra and edges with five OBi4 tetrahedra. In the fifth O2- site, O2- is bonded to one Gd3+ and three Bi+3.25+ atoms to form OGdBi3 tetrahedra that share corners with eleven OGd2Bi2 tetrahedra and edges with five OBi4 tetrahedra. In the sixth O2- site, O2- is bonded to four Bi+3.25+ atoms to form OBi4 tetrahedra that share corners with eleven OGd2Bi2 tetrahedra and edges with five OGdBi3 tetrahedra. In the seventh O2- site, O2- is bonded to four Bi+3.25+ atoms to form OBi4 tetrahedra that share corners with fourteen OGd2Bi2 tetrahedra and edges with four OGdBi3 tetrahedra. In the eighth O2- site, O2- is bonded to two equivalent Gd3+ and two Bi+3.25+ atoms to form distorted OGd2Bi2 tetrahedra that share corners with fourteen OGd2Bi2 tetrahedra and edges with four OGdBi3 tetrahedra.},
doi = {10.17188/1290598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}