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Title: Materials Data on SmPRu2C by Materials Project

Abstract

SmRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Sm–C bond lengths are 2.68 Å. There are one shorter (3.04 Å) and two longer (3.13 Å) Sm–P bond lengths. Ru2+ is bonded in a single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.45 Å) and two longer (2.48 Å) Ru–P bond lengths. C4- is bonded to four equivalent Sm3+ and two equivalent Ru2+ atoms to form a mixture of corner and edge-sharing CSm4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°. P3- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ru2+ atoms.

Publication Date:
Other Number(s):
mp-1079697
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; SmPRu2C; C-P-Ru-Sm
OSTI Identifier:
1667225
DOI:
https://doi.org/10.17188/1667225

Citation Formats

The Materials Project. Materials Data on SmPRu2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667225.
The Materials Project. Materials Data on SmPRu2C by Materials Project. United States. doi:https://doi.org/10.17188/1667225
The Materials Project. 2020. "Materials Data on SmPRu2C by Materials Project". United States. doi:https://doi.org/10.17188/1667225. https://www.osti.gov/servlets/purl/1667225. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1667225,
title = {Materials Data on SmPRu2C by Materials Project},
author = {The Materials Project},
abstractNote = {SmRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Sm–C bond lengths are 2.68 Å. There are one shorter (3.04 Å) and two longer (3.13 Å) Sm–P bond lengths. Ru2+ is bonded in a single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.45 Å) and two longer (2.48 Å) Ru–P bond lengths. C4- is bonded to four equivalent Sm3+ and two equivalent Ru2+ atoms to form a mixture of corner and edge-sharing CSm4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°. P3- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ru2+ atoms.},
doi = {10.17188/1667225},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}