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Title: Materials Data on Rb2ZnGeO4 by Materials Project

Abstract

Rb2ZnGeO4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–2.96 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.42 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four GeO4 tetrahedra. There is two shorter (1.99 Å) and two longer (2.00 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four GeO4 tetrahedra. There are a spreadmore » of Zn–O bond distances ranging from 1.97–2.01 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four ZnO4 tetrahedra. All Ge–O bond lengths are 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four ZnO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Zn2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Zn2+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1209800
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2ZnGeO4; Ge-O-Rb-Zn
OSTI Identifier:
1685632
DOI:
https://doi.org/10.17188/1685632

Citation Formats

The Materials Project. Materials Data on Rb2ZnGeO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685632.
The Materials Project. Materials Data on Rb2ZnGeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1685632
The Materials Project. 2019. "Materials Data on Rb2ZnGeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1685632. https://www.osti.gov/servlets/purl/1685632. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685632,
title = {Materials Data on Rb2ZnGeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnGeO4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–2.96 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.42 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four GeO4 tetrahedra. There is two shorter (1.99 Å) and two longer (2.00 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four GeO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.01 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four ZnO4 tetrahedra. All Ge–O bond lengths are 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four ZnO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Zn2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Zn2+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Zn2+, and one Ge4+ atom.},
doi = {10.17188/1685632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}