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Title: Materials Data on K2RbLuV2O8 by Materials Project

Abstract

RbK2LuV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent VO4 tetrahedra, and faces with two equivalent LuO6 octahedra. There are six shorter (3.13 Å) and six longer (3.46 Å) Rb–O bond lengths. K1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.32 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent VO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Lu–O bond lengths are 2.21 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LuO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.77 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to three equivalent Rb1+, one K1+, and one V5+ atom. In the second O2- site, O2- is bonded inmore » a 2-coordinate geometry to one Rb1+, three equivalent K1+, one Lu3+, and one V5+ atom.« less

Publication Date:
Other Number(s):
mp-1211699
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; K2RbLuV2O8; K-Lu-O-Rb-V
OSTI Identifier:
1759598
DOI:
https://doi.org/10.17188/1759598

Citation Formats

The Materials Project. Materials Data on K2RbLuV2O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759598.
The Materials Project. Materials Data on K2RbLuV2O8 by Materials Project. United States. doi:https://doi.org/10.17188/1759598
The Materials Project. 2020. "Materials Data on K2RbLuV2O8 by Materials Project". United States. doi:https://doi.org/10.17188/1759598. https://www.osti.gov/servlets/purl/1759598. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759598,
title = {Materials Data on K2RbLuV2O8 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK2LuV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent VO4 tetrahedra, and faces with two equivalent LuO6 octahedra. There are six shorter (3.13 Å) and six longer (3.46 Å) Rb–O bond lengths. K1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.32 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent VO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Lu–O bond lengths are 2.21 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LuO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.77 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to three equivalent Rb1+, one K1+, and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, three equivalent K1+, one Lu3+, and one V5+ atom.},
doi = {10.17188/1759598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}