Materials Data on Pr3NF6 by Materials Project
Pr3NF6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two equivalent N3- and six F1- atoms. There are one shorter (2.43 Å) and one longer (2.51 Å) Pr–N bond lengths. There are a spread of Pr–F bond distances ranging from 2.47–2.75 Å. In the second Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to one N3- and seven F1- atoms. The Pr–N bond length is 2.34 Å. There are a spread of Pr–F bond distances ranging from 2.39–2.60 Å. In the third Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to one N3- and seven F1- atoms. The Pr–N bond length is 2.37 Å. There are a spread of Pr–F bond distances ranging from 2.37–2.63 Å. N3- is bonded in a 4-coordinate geometry to four Pr3+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to four Pr3+ atoms to form distorted corner-sharing FPr4 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Pr3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Pr3+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to four Pr3+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Pr3+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three 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:
- 1206540
- Report Number(s):
- mp-33319
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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