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Title: Materials Data on NdCuSO by Materials Project

Abstract

(NdO)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 NdO 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 NdO sheet, Nd3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Nd–O bond lengths are 2.32 Å. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.

Publication Date:
Other Number(s):
mp-542314
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; NdCuSO; Cu-Nd-O-S
OSTI Identifier:
1266496
DOI:
10.17188/1266496

Citation Formats

The Materials Project. Materials Data on NdCuSO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266496.
The Materials Project. Materials Data on NdCuSO by Materials Project. United States. doi:10.17188/1266496.
The Materials Project. 2020. "Materials Data on NdCuSO by Materials Project". United States. doi:10.17188/1266496. https://www.osti.gov/servlets/purl/1266496. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266496,
title = {Materials Data on NdCuSO by Materials Project},
author = {The Materials Project},
abstractNote = {(NdO)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 NdO 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 NdO sheet, Nd3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Nd–O bond lengths are 2.32 Å. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.},
doi = {10.17188/1266496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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