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Title: Materials Data on NdPOs2C by Materials Project

Abstract

NdOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.70 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.89 Å. There are one shorter (2.44 Å) and two longer (2.52 Å) Os–P bond lengths. C4- is bonded to four equivalent Nd3+ and two equivalent Os2- atoms to form a mixture of corner and edge-sharing CNd4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

Publication Date:
Other Number(s):
mp-1206657
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; NdPOs2C; C-Nd-Os-P
OSTI Identifier:
1680186
DOI:
https://doi.org/10.17188/1680186

Citation Formats

The Materials Project. Materials Data on NdPOs2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680186.
The Materials Project. Materials Data on NdPOs2C by Materials Project. United States. doi:https://doi.org/10.17188/1680186
The Materials Project. 2020. "Materials Data on NdPOs2C by Materials Project". United States. doi:https://doi.org/10.17188/1680186. https://www.osti.gov/servlets/purl/1680186. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680186,
title = {Materials Data on NdPOs2C by Materials Project},
author = {The Materials Project},
abstractNote = {NdOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.70 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.89 Å. There are one shorter (2.44 Å) and two longer (2.52 Å) Os–P bond lengths. C4- is bonded to four equivalent Nd3+ and two equivalent Os2- atoms to form a mixture of corner and edge-sharing CNd4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.},
doi = {10.17188/1680186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}