U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoFe3(BO3)4 by Materials Project
Abstract
HoFe3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form distorted HoO6 pentagonal pyramids that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ho–O bond lengths are 2.35 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent HoO6 pentagonal pyramids and edges with two equivalent FeO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Fe–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212083
- 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; HoFe3(BO3)4; B-Fe-Ho-O
- OSTI Identifier:
- 1688244
- DOI:
- https://doi.org/10.17188/1688244
Citation Formats
The Materials Project. Materials Data on HoFe3(BO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688244.
The Materials Project. Materials Data on HoFe3(BO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1688244
The Materials Project. 2020.
"Materials Data on HoFe3(BO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1688244. https://www.osti.gov/servlets/purl/1688244. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1688244,
title = {Materials Data on HoFe3(BO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {HoFe3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form distorted HoO6 pentagonal pyramids that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ho–O bond lengths are 2.35 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent HoO6 pentagonal pyramids and edges with two equivalent FeO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Fe–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one Fe3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one B3+ atom.},
doi = {10.17188/1688244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}