Materials Data on NaPr4I7N2 by Materials Project
NaPr4N2I7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six I1- atoms. There are a spread of Na–I bond distances ranging from 3.08–3.52 Å. There are four inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Pr–N bond lengths are 2.33 Å. There are a spread of Pr–I bond distances ranging from 3.18–3.47 Å. In the second Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Pr–N bond lengths are 2.34 Å. There are a spread of Pr–I bond distances ranging from 3.15–3.42 Å. In the third Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Pr–N bond lengths. There are a spread of Pr–I bond distances ranging from 3.24–3.76 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Pr–N bond lengths are 2.36 Å. There are a spread of Pr–I bond distances ranging from 3.24–3.73 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Pr3+ atoms to form edge-sharing NPr4 tetrahedra. In the second N3- site, N3- is bonded to four Pr3+ atoms to form edge-sharing NPr4 tetrahedra. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Pr3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to one Na1+ and three Pr3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Pr3+ atoms. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to one Na1+ and three Pr3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Pr3+ atoms. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Pr3+ atoms. In the seventh I1- site, I1- is bonded in a distorted T-shaped geometry to one Na1+ and two Pr3+ 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:
- 1275769
- Report Number(s):
- mp-570548
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na2Pr4Br9NO by Materials Project
Materials Data on Pr8Br13N3O by Materials Project
Materials Data on Pr4S3N2 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1283997
Materials Data on Pr8Br13N3O by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1717050
Materials Data on Pr4S3N2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1270424