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Title: Materials Data on La3Zn3Ge2SbO14 by Materials Project

Abstract

La3SbZn3Ge2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.08 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.95 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent SbO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and two longer (2.03 Å) Zn–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one ZnO4 trigonal pyramid. There is one shorter (1.76 Å) and three longer (1.78 Å) Ge–O bond length. Sb5+ ismore » bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent ZnO4 trigonal pyramids. All Sb–O bond lengths are 2.02 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Zn2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Zn2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+, one Zn2+, and one Ge4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672262
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; La3Zn3Ge2SbO14; Ge-La-O-Sb-Zn
OSTI Identifier:
1281811
DOI:
10.17188/1281811

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La3Zn3Ge2SbO14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281811.
Persson, Kristin, & Project, Materials. Materials Data on La3Zn3Ge2SbO14 by Materials Project. United States. doi:10.17188/1281811.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La3Zn3Ge2SbO14 by Materials Project". United States. doi:10.17188/1281811. https://www.osti.gov/servlets/purl/1281811. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1281811,
title = {Materials Data on La3Zn3Ge2SbO14 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La3SbZn3Ge2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.08 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.95 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent SbO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and two longer (2.03 Å) Zn–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one ZnO4 trigonal pyramid. There is one shorter (1.76 Å) and three longer (1.78 Å) Ge–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent ZnO4 trigonal pyramids. All Sb–O bond lengths are 2.02 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Zn2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Zn2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Zn2+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+, one Zn2+, and one Ge4+ atom.},
doi = {10.17188/1281811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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