Materials Data on Pr2NCl3 by Materials Project
Pr2NCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Cl1- atoms. Both Pr–N bond lengths are 2.35 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.01 Å. N3- is bonded to four equivalent Pr3+ atoms to form distorted edge-sharing NPr4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ 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:
- 1203028
- Report Number(s):
- mp-28969
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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