U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2NCl3 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-28969
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-N-Pr; Pr2NCl3; crystal structure
- OSTI Identifier:
- 1203028
- DOI:
- https://doi.org/10.17188/1203028
Citation Formats
Materials Data on Pr2NCl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203028.
Materials Data on Pr2NCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1203028
2020.
"Materials Data on Pr2NCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1203028. https://www.osti.gov/servlets/purl/1203028. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203028,
title = {Materials Data on Pr2NCl3 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1203028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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