Materials Data on NdClO2 by Materials Project
NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd 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:
- 1759585
- Report Number(s):
- mp-1206067
- Country of Publication:
- United States
- Language:
- English
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