Materials Data on KSbN(OF)3 by Materials Project
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.
- 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:
- 1269604
- Report Number(s):
- mp-556904
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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