U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Pr2(NO3)9 by Materials Project
Abstract
K3Pr2(NO3)9 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.19 Å. Pr3+ is bonded to twelve O2- atoms to form distorted corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.60–2.78 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Pr3+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Pr3+, and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N5+ atom. Inmore »
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1280903
- Report Number(s):
- mp-649608
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; K3Pr2(NO3)9; K-N-O-Pr
Citation Formats
The Materials Project. Materials Data on K3Pr2(NO3)9 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1280903.
The Materials Project. Materials Data on K3Pr2(NO3)9 by Materials Project. United States. https://doi.org/10.17188/1280903
The Materials Project. 2014.
"Materials Data on K3Pr2(NO3)9 by Materials Project". United States. https://doi.org/10.17188/1280903. https://www.osti.gov/servlets/purl/1280903.
@article{osti_1280903,
title = {Materials Data on K3Pr2(NO3)9 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Pr2(NO3)9 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.19 Å. Pr3+ is bonded to twelve O2- atoms to form distorted corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.60–2.78 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Pr3+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Pr3+, and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one K1+, one Pr3+, and one N5+ atom.},
doi = {10.17188/1280903},
url = {https://www.osti.gov/biblio/1280903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Feb 24 00:00:00 EST 2014},
month = {Mon Feb 24 00:00:00 EST 2014}
}