Materials Data on Rb2NaHoF6 by Materials Project
Abstract
Rb2NaHoF6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent HoF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.00–3.38 Å. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with six equivalent HoF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. All Na–F bond lengths are 2.34 Å. Ho3+ is bonded to six F1- atoms to form HoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. All Ho–F bond lengths are 2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ho3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ho3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-15318
- 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; Rb2NaHoF6; F-Ho-Na-Rb
- OSTI Identifier:
- 1191101
- DOI:
- https://doi.org/10.17188/1191101
Citation Formats
The Materials Project. Materials Data on Rb2NaHoF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191101.
The Materials Project. Materials Data on Rb2NaHoF6 by Materials Project. United States. doi:https://doi.org/10.17188/1191101
The Materials Project. 2020.
"Materials Data on Rb2NaHoF6 by Materials Project". United States. doi:https://doi.org/10.17188/1191101. https://www.osti.gov/servlets/purl/1191101. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191101,
title = {Materials Data on Rb2NaHoF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NaHoF6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent HoF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.00–3.38 Å. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with six equivalent HoF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. All Na–F bond lengths are 2.34 Å. Ho3+ is bonded to six F1- atoms to form HoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. All Ho–F bond lengths are 2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ho3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ho3+ atom.},
doi = {10.17188/1191101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}