Materials Data on KSbN(OF)3 by Materials Project
Abstract
KSbN(OF)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two KSbN(OF)3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.74–3.04 Å. Sb3+ is bonded in a 4-coordinate geometry to three F1- atoms. There is two shorter (1.98 Å) and one longer (2.01 Å) Sb–F bond length. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one N5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556904
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KSbN(OF)3; F-K-N-O-Sb
- OSTI Identifier:
- 1269604
- DOI:
- https://doi.org/10.17188/1269604
Citation Formats
The Materials Project. Materials Data on KSbN(OF)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269604.
The Materials Project. Materials Data on KSbN(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1269604
The Materials Project. 2020.
"Materials Data on KSbN(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1269604. https://www.osti.gov/servlets/purl/1269604. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269604,
title = {Materials Data on KSbN(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {KSbN(OF)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two KSbN(OF)3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.74–3.04 Å. Sb3+ is bonded in a 4-coordinate geometry to three F1- atoms. There is two shorter (1.98 Å) and one longer (2.01 Å) Sb–F bond length. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one N5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom.},
doi = {10.17188/1269604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}