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Title: Materials Data on PrCuSO by Materials Project

Abstract

(PrO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one PrO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the PrO sheet, Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pr–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1277883
Report Number(s):
mp-6166
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; PrCuSO; Cu-O-Pr-S

Citation Formats

The Materials Project. Materials Data on PrCuSO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277883.
The Materials Project. Materials Data on PrCuSO by Materials Project. United States. https://doi.org/10.17188/1277883
The Materials Project. Thu . "Materials Data on PrCuSO by Materials Project". United States. https://doi.org/10.17188/1277883. https://www.osti.gov/servlets/purl/1277883.
@article{osti_1277883,
title = {Materials Data on PrCuSO by Materials Project},
author = {The Materials Project},
abstractNote = {(PrO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one PrO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the PrO sheet, Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pr–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.},
doi = {10.17188/1277883},
url = {https://www.osti.gov/biblio/1277883}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}