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Title: Materials Data on Ho2Mn3Sb3O14 by Materials Project

Abstract

Ho2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to eight O2- atoms to form distorted HoO8 hexagonal bipyramids that share edges with six SbO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.23–2.51 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.54 Å. There are two inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.22–2.57 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are two shorter (1.95 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalentmore » SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–49°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–52°. There is two shorter (1.95 Å) and four longer (2.02 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent Mn+2.33+ atoms to form corner-sharing OHo2Mn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+2.33+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, one Mn+2.33+, and two Sb5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224132
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; Ho2Mn3Sb3O14; Ho-Mn-O-Sb
OSTI Identifier:
1652229
DOI:
https://doi.org/10.17188/1652229

Citation Formats

The Materials Project. Materials Data on Ho2Mn3Sb3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652229.
The Materials Project. Materials Data on Ho2Mn3Sb3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1652229
The Materials Project. 2020. "Materials Data on Ho2Mn3Sb3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1652229. https://www.osti.gov/servlets/purl/1652229. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1652229,
title = {Materials Data on Ho2Mn3Sb3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to eight O2- atoms to form distorted HoO8 hexagonal bipyramids that share edges with six SbO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.23–2.51 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.54 Å. There are two inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.22–2.57 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are two shorter (1.95 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–49°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–52°. There is two shorter (1.95 Å) and four longer (2.02 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent Mn+2.33+ atoms to form corner-sharing OHo2Mn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+2.33+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, one Mn+2.33+, and two Sb5+ atoms.},
doi = {10.17188/1652229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}