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Title: Materials Data on Gd2Mn3Sb3O14 by Materials Project

Abstract

Gd2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to eight O2- atoms to form GdO8 hexagonal bipyramids that share edges with two equivalent GdO8 hexagonal bipyramids, edges with four MnO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four SbO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.33–2.51 Å. There are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with two equivalent MnO8 hexagonal bipyramids, edges with four equivalent GdO8 hexagonal bipyramids, and edges with six SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.09–2.57 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with two equivalent MnO8 hexagonal bipyramids, edges with four equivalent GdO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.16–2.59 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners withmore » six SbO6 octahedra, edges with two equivalent MnO8 hexagonal bipyramids, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–51°. There is four shorter (1.98 Å) and two longer (2.01 Å) Mn–O bond length. 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 SbO6 octahedra, edges with two equivalent GdO8 hexagonal bipyramids, and edges with four MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Sb–O bond distances ranging from 1.97–2.02 Å. 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 equivalent SbO6 octahedra, edges with two equivalent MnO8 hexagonal bipyramids, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–51°. There is two shorter (1.96 Å) and four longer (2.00 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two Mn+2.33+ atoms to form OGd2Mn2 tetrahedra that share corners with six OGd2Mn2 tetrahedra and an edgeedge with one OGd2MnSb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Mn+2.33+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to two equivalent Gd3+, one Mn+2.33+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OGd2MnSb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Gd3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Gd3+, one Mn+2.33+, and two Sb5+ atoms.« less

Publication Date:
Other Number(s):
mp-1225126
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Gd2Mn3Sb3O14; Gd-Mn-O-Sb
OSTI Identifier:
1728791
DOI:
https://doi.org/10.17188/1728791

Citation Formats

The Materials Project. Materials Data on Gd2Mn3Sb3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728791.
The Materials Project. Materials Data on Gd2Mn3Sb3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1728791
The Materials Project. 2020. "Materials Data on Gd2Mn3Sb3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1728791. https://www.osti.gov/servlets/purl/1728791. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1728791,
title = {Materials Data on Gd2Mn3Sb3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to eight O2- atoms to form GdO8 hexagonal bipyramids that share edges with two equivalent GdO8 hexagonal bipyramids, edges with four MnO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four SbO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.33–2.51 Å. There are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with two equivalent MnO8 hexagonal bipyramids, edges with four equivalent GdO8 hexagonal bipyramids, and edges with six SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.09–2.57 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with two equivalent MnO8 hexagonal bipyramids, edges with four equivalent GdO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.16–2.59 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra, edges with two equivalent MnO8 hexagonal bipyramids, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–51°. There is four shorter (1.98 Å) and two longer (2.01 Å) Mn–O bond length. 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 SbO6 octahedra, edges with two equivalent GdO8 hexagonal bipyramids, and edges with four MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Sb–O bond distances ranging from 1.97–2.02 Å. 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 equivalent SbO6 octahedra, edges with two equivalent MnO8 hexagonal bipyramids, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–51°. There is two shorter (1.96 Å) and four longer (2.00 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two Mn+2.33+ atoms to form OGd2Mn2 tetrahedra that share corners with six OGd2Mn2 tetrahedra and an edgeedge with one OGd2MnSb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Mn+2.33+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to two equivalent Gd3+, one Mn+2.33+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OGd2MnSb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Gd3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Gd3+, one Mn+2.33+, and two Sb5+ atoms.},
doi = {10.17188/1728791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}