Materials Data on ErGeBiO5 by Materials Project
Abstract
BiErGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent ErO7 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.40 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent ErO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.35 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form edge-sharing OEr2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-559109
- 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; ErGeBiO5; Bi-Er-Ge-O
- OSTI Identifier:
- 1270676
- DOI:
- https://doi.org/10.17188/1270676
Citation Formats
The Materials Project. Materials Data on ErGeBiO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270676.
The Materials Project. Materials Data on ErGeBiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1270676
The Materials Project. 2020.
"Materials Data on ErGeBiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1270676. https://www.osti.gov/servlets/purl/1270676. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1270676,
title = {Materials Data on ErGeBiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {BiErGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent ErO7 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.40 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent ErO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.35 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form edge-sharing OEr2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1270676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}