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Title: Materials Data on Th(CoP)2 by Materials Project

Abstract

Th(CoP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.03 Å) and four longer (3.05 Å) Th–P bond lengths. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.34 Å. In the second Co1+ site, Co1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.25 Å) and one longer (2.35 Å) Co–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Co1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Th4+ and five Co1+ atoms.

Publication Date:
Other Number(s):
mp-1079824
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; Th(CoP)2; Co-P-Th
OSTI Identifier:
1749030
DOI:
https://doi.org/10.17188/1749030

Citation Formats

The Materials Project. Materials Data on Th(CoP)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749030.
The Materials Project. Materials Data on Th(CoP)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749030
The Materials Project. 2020. "Materials Data on Th(CoP)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749030. https://www.osti.gov/servlets/purl/1749030. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1749030,
title = {Materials Data on Th(CoP)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Th(CoP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.03 Å) and four longer (3.05 Å) Th–P bond lengths. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.34 Å. In the second Co1+ site, Co1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.25 Å) and one longer (2.35 Å) Co–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Co1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Th4+ and five Co1+ atoms.},
doi = {10.17188/1749030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}