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Title: Materials Data on RbTiBr3 by Materials Project

Abstract

RbTiBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent TiBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent TiBr6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are six shorter (3.74 Å) and six longer (3.92 Å) Rb–Br bond lengths. Ti2+ is bonded to six equivalent Br1- atoms to form TiBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent TiBr6 octahedra. All Ti–Br bond lengths are 2.68 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Ti2+ atoms.

Publication Date:
Other Number(s):
mp-569807
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; RbTiBr3; Br-Rb-Ti
OSTI Identifier:
1272692
DOI:
10.17188/1272692

Citation Formats

The Materials Project. Materials Data on RbTiBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272692.
The Materials Project. Materials Data on RbTiBr3 by Materials Project. United States. doi:10.17188/1272692.
The Materials Project. 2020. "Materials Data on RbTiBr3 by Materials Project". United States. doi:10.17188/1272692. https://www.osti.gov/servlets/purl/1272692. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1272692,
title = {Materials Data on RbTiBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTiBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent TiBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent TiBr6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are six shorter (3.74 Å) and six longer (3.92 Å) Rb–Br bond lengths. Ti2+ is bonded to six equivalent Br1- atoms to form TiBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent TiBr6 octahedra. All Ti–Br bond lengths are 2.68 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Ti2+ atoms.},
doi = {10.17188/1272692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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