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Title: Materials Data on YTh(BRh)8 by Materials Project

Abstract

ThY(RhB)8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (3.02 Å) and eight longer (3.20 Å) Th–Rh bond lengths. There are eight shorter (3.05 Å) and four longer (3.19 Å) Th–B bond lengths. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.99 Å) and eight longer (3.19 Å) Y–Rh bond lengths. There are eight shorter (3.05 Å) and four longer (3.18 Å) Y–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Y, and five B atoms. There are four shorter (2.23 Å) and one longer (2.30 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.23–2.26 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Y, five Rh, and onemore » B atom. The B–B bond length is 1.78 Å. In the second B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.80 Å.« less

Publication Date:
Other Number(s):
mp-1216004
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; YTh(BRh)8; B-Rh-Th-Y
OSTI Identifier:
1685598
DOI:
https://doi.org/10.17188/1685598

Citation Formats

The Materials Project. Materials Data on YTh(BRh)8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685598.
The Materials Project. Materials Data on YTh(BRh)8 by Materials Project. United States. doi:https://doi.org/10.17188/1685598
The Materials Project. 2020. "Materials Data on YTh(BRh)8 by Materials Project". United States. doi:https://doi.org/10.17188/1685598. https://www.osti.gov/servlets/purl/1685598. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685598,
title = {Materials Data on YTh(BRh)8 by Materials Project},
author = {The Materials Project},
abstractNote = {ThY(RhB)8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (3.02 Å) and eight longer (3.20 Å) Th–Rh bond lengths. There are eight shorter (3.05 Å) and four longer (3.19 Å) Th–B bond lengths. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.99 Å) and eight longer (3.19 Å) Y–Rh bond lengths. There are eight shorter (3.05 Å) and four longer (3.18 Å) Y–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Y, and five B atoms. There are four shorter (2.23 Å) and one longer (2.30 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.23–2.26 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Y, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the second B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.80 Å.},
doi = {10.17188/1685598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}