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Title: 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 » O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na and two equivalent Ho atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1188943
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; NaHoBO5; B-Ho-Na-O
OSTI Identifier:
1705800
DOI:
https://doi.org/10.17188/1705800

Citation Formats

The Materials Project. Materials Data on NaHoBO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705800.
The Materials Project. Materials Data on NaHoBO5 by Materials Project. United States. doi:https://doi.org/10.17188/1705800
The Materials Project. 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 00:00:00 EST 2019
@article{osti_1705800,
title = {Materials Data on NaHoBO5 by Materials Project},
author = {The 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}
}