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Title: Materials Data on Pd2N by Materials Project

Abstract

Pd2N crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one nitrogen molecule and one Pd sheet oriented in the (0, 0, 1) direction. In the Pd sheet, there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Pd atoms to form PdPd6 octahedra that share corners with four equivalent PdPd6 octahedra, a cornercorner with one PdPd5 square pyramid, edges with eight equivalent PdPd6 octahedra, and edges with four equivalent PdPd5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Pd–Pd bond distances ranging from 2.57–2.66 Å. In the second Pd site, Pd is bonded to five Pd atoms to form PdPd5 square pyramids that share a cornercorner with one PdPd6 octahedra, corners with four equivalent PdPd5 square pyramids, edges with four equivalent PdPd6 octahedra, and edges with four equivalent PdPd5 square pyramids. The corner-sharing octahedral tilt angles are 0°. All Pd–Pd bond lengths are 2.66 Å.

Publication Date:
Other Number(s):
mp-1019238
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; Pd2N; N-Pd
OSTI Identifier:
1350576
DOI:
10.17188/1350576

Citation Formats

The Materials Project. Materials Data on Pd2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350576.
The Materials Project. Materials Data on Pd2N by Materials Project. United States. doi:10.17188/1350576.
The Materials Project. 2020. "Materials Data on Pd2N by Materials Project". United States. doi:10.17188/1350576. https://www.osti.gov/servlets/purl/1350576. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350576,
title = {Materials Data on Pd2N by Materials Project},
author = {The Materials Project},
abstractNote = {Pd2N crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one nitrogen molecule and one Pd sheet oriented in the (0, 0, 1) direction. In the Pd sheet, there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Pd atoms to form PdPd6 octahedra that share corners with four equivalent PdPd6 octahedra, a cornercorner with one PdPd5 square pyramid, edges with eight equivalent PdPd6 octahedra, and edges with four equivalent PdPd5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Pd–Pd bond distances ranging from 2.57–2.66 Å. In the second Pd site, Pd is bonded to five Pd atoms to form PdPd5 square pyramids that share a cornercorner with one PdPd6 octahedra, corners with four equivalent PdPd5 square pyramids, edges with four equivalent PdPd6 octahedra, and edges with four equivalent PdPd5 square pyramids. The corner-sharing octahedral tilt angles are 0°. All Pd–Pd bond lengths are 2.66 Å.},
doi = {10.17188/1350576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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