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Materials Data on NdClO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199203· OSTI ID:1199203
NdOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Nd–O bond lengths are 2.35 Å. There are one shorter (3.12 Å) and four longer (3.19 Å) Nd–Cl bond lengths. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1199203
Report Number(s):
mp-23058
Country of Publication:
United States
Language:
English

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