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Title: Materials Data on Yb14MnSb11 by Materials Project

Abstract

Yb14MnSb11 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Yb+2.21+ sites. In the first Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with ten YbSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, and faces with six YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 39–54°. There are a spread of Yb–Sb bond distances ranging from 3.15–3.35 Å. In the second Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form distorted YbSb6 octahedra that share corners with eight YbSb6 octahedra, edges with four YbSb6 octahedra, an edgeedge with one MnSb4 tetrahedra, and faces with four YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of Yb–Sb bond distances ranging from 3.18–3.73 Å. In the third Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with seven YbSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, edges with five YbSb6 octahedra, and faces with three YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of Yb–Sb bond distances ranging from 3.20–3.25 Å. In the fourth Yb+2.21+ site, Yb+2.21+more » is bonded in a 6-coordinate geometry to six Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.16–3.74 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with twelve YbSb6 octahedra and edges with four equivalent YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–50°. All Mn–Sb bond lengths are 2.71 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to eight Yb+2.21+ atoms. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to seven Yb+2.21+ and one Mn2+ atom. In the third Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.21+ atoms. In the fourth Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.21+ atoms.« less

Publication Date:
Other Number(s):
mp-568088
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; Yb14MnSb11; Mn-Sb-Yb
OSTI Identifier:
1274241
DOI:
10.17188/1274241

Citation Formats

The Materials Project. Materials Data on Yb14MnSb11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1274241.
The Materials Project. Materials Data on Yb14MnSb11 by Materials Project. United States. doi:10.17188/1274241.
The Materials Project. 2019. "Materials Data on Yb14MnSb11 by Materials Project". United States. doi:10.17188/1274241. https://www.osti.gov/servlets/purl/1274241. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1274241,
title = {Materials Data on Yb14MnSb11 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb14MnSb11 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Yb+2.21+ sites. In the first Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with ten YbSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, and faces with six YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 39–54°. There are a spread of Yb–Sb bond distances ranging from 3.15–3.35 Å. In the second Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form distorted YbSb6 octahedra that share corners with eight YbSb6 octahedra, edges with four YbSb6 octahedra, an edgeedge with one MnSb4 tetrahedra, and faces with four YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of Yb–Sb bond distances ranging from 3.18–3.73 Å. In the third Yb+2.21+ site, Yb+2.21+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with seven YbSb6 octahedra, corners with two equivalent MnSb4 tetrahedra, edges with five YbSb6 octahedra, and faces with three YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of Yb–Sb bond distances ranging from 3.20–3.25 Å. In the fourth Yb+2.21+ site, Yb+2.21+ is bonded in a 6-coordinate geometry to six Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.16–3.74 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with twelve YbSb6 octahedra and edges with four equivalent YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–50°. All Mn–Sb bond lengths are 2.71 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to eight Yb+2.21+ atoms. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to seven Yb+2.21+ and one Mn2+ atom. In the third Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.21+ atoms. In the fourth Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.21+ atoms.},
doi = {10.17188/1274241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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