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Title: Materials Data on PrSi2Mo2C by Materials Project

Abstract

PrMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.23 Å. Both Pr–C bond lengths are 2.72 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.60 Å. Both Mo–C bond lengths are 2.12 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CPr2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-21891
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; PrSi2Mo2C; C-Mo-Pr-Si
OSTI Identifier:
1197230
DOI:
https://doi.org/10.17188/1197230

Citation Formats

The Materials Project. Materials Data on PrSi2Mo2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197230.
The Materials Project. Materials Data on PrSi2Mo2C by Materials Project. United States. doi:https://doi.org/10.17188/1197230
The Materials Project. 2020. "Materials Data on PrSi2Mo2C by Materials Project". United States. doi:https://doi.org/10.17188/1197230. https://www.osti.gov/servlets/purl/1197230. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197230,
title = {Materials Data on PrSi2Mo2C by Materials Project},
author = {The Materials Project},
abstractNote = {PrMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.23 Å. Both Pr–C bond lengths are 2.72 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.60 Å. Both Mo–C bond lengths are 2.12 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CPr2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1197230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}