U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaHoBO5 by Materials Project
Abstract
NaHoBO5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na is bonded to eight O atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent BO4 tetrahedra, edges with two equivalent BO4 tetrahedra, and faces with two equivalent NaO8 hexagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.47–2.69 Å. Ho is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.44 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with two equivalent NaO8 hexagonal bipyramids and edges with two equivalent NaO8 hexagonal bipyramids. There are a spread of B–O bond distances ranging from 1.44–1.47 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na, two equivalent Ho, and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one Ho, and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one Ho, and one B atom. In the fourthmore »
- Publication Date:
- Other Number(s):
- mp-1188943
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Ho-Na-O; NaHoBO5; crystal structure
- OSTI Identifier:
- 1705800
- DOI:
- https://doi.org/10.17188/1705800
Citation Formats
Materials Data on NaHoBO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1705800.
Materials Data on NaHoBO5 by Materials Project. United States. doi:https://doi.org/10.17188/1705800
2019.
"Materials Data on NaHoBO5 by Materials Project". United States. doi:https://doi.org/10.17188/1705800. https://www.osti.gov/servlets/purl/1705800. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1705800,
title = {Materials Data on NaHoBO5 by Materials Project},
abstractNote = {NaHoBO5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na is bonded to eight O atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent BO4 tetrahedra, edges with two equivalent BO4 tetrahedra, and faces with two equivalent NaO8 hexagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.47–2.69 Å. Ho is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.44 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with two equivalent NaO8 hexagonal bipyramids and edges with two equivalent NaO8 hexagonal bipyramids. There are a spread of B–O bond distances ranging from 1.44–1.47 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na, two equivalent Ho, and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one Ho, and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one Ho, and one B atom. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na and two equivalent Ho atoms.},
doi = {10.17188/1705800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}