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Title: Materials Data on NdP3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314586· OSTI ID:1314586

NdP3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to twelve P1- atoms to form a mixture of face, edge, and corner-sharing NdP12 cuboctahedra. There are four shorter (2.83 Å) and eight longer (3.13 Å) Nd–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent P1- atoms. All P–P bond lengths are 2.83 Å. In the second P1- site, P1- is bonded in a square co-planar geometry to four equivalent Nd3+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1314586
Report Number(s):
mp-974613
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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