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Title: Materials Data on Rb3Zn3(MoO4)4 by Materials Project

Abstract

Rb3Zn3(MoO4)4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share corners with four equivalent MoO4 tetrahedra, edges with eight equivalent RbO12 cuboctahedra, edges with four equivalent MoO4 tetrahedra, and edges with four equivalent ZnO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 3.11–3.41 Å. Mo+5.75+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent RbO12 cuboctahedra, corners with three equivalent ZnO4 tetrahedra, and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.76 Å) and three longer (1.84 Å) Mo–O bond length. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent MoO4 tetrahedra and edges with four equivalent RbO12 cuboctahedra. All Zn–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one Mo+5.75+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Mo+5.75+, and one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209384
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; Rb3Zn3(MoO4)4; Mo-O-Rb-Zn
OSTI Identifier:
1674840
DOI:
https://doi.org/10.17188/1674840

Citation Formats

The Materials Project. Materials Data on Rb3Zn3(MoO4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674840.
The Materials Project. Materials Data on Rb3Zn3(MoO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1674840
The Materials Project. 2020. "Materials Data on Rb3Zn3(MoO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1674840. https://www.osti.gov/servlets/purl/1674840. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1674840,
title = {Materials Data on Rb3Zn3(MoO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Zn3(MoO4)4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share corners with four equivalent MoO4 tetrahedra, edges with eight equivalent RbO12 cuboctahedra, edges with four equivalent MoO4 tetrahedra, and edges with four equivalent ZnO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 3.11–3.41 Å. Mo+5.75+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent RbO12 cuboctahedra, corners with three equivalent ZnO4 tetrahedra, and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.76 Å) and three longer (1.84 Å) Mo–O bond length. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent MoO4 tetrahedra and edges with four equivalent RbO12 cuboctahedra. All Zn–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one Mo+5.75+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Mo+5.75+, and one Zn2+ atom.},
doi = {10.17188/1674840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}