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Title: Materials Data on Zn4SiTePbO10 by Materials Project

Abstract

Zn4PbSiTeO10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent TeO6 octahedra, corners with two equivalent SiO4 tetrahedra, and corners with three equivalent ZnO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Zn–O bond distances ranging from 1.96–2.05 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.07 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.10 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.95–1.98 Å. There are six inequivalent O2- sites. In the first O2- site,more » O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+, one Pb2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Pb2+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+, one Pb2+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-558938
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; Zn4SiTePbO10; O-Pb-Si-Te-Zn
OSTI Identifier:
1270563
DOI:
10.17188/1270563

Citation Formats

The Materials Project. Materials Data on Zn4SiTePbO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270563.
The Materials Project. Materials Data on Zn4SiTePbO10 by Materials Project. United States. doi:10.17188/1270563.
The Materials Project. 2020. "Materials Data on Zn4SiTePbO10 by Materials Project". United States. doi:10.17188/1270563. https://www.osti.gov/servlets/purl/1270563. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270563,
title = {Materials Data on Zn4SiTePbO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn4PbSiTeO10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent TeO6 octahedra, corners with two equivalent SiO4 tetrahedra, and corners with three equivalent ZnO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Zn–O bond distances ranging from 1.96–2.05 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.07 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.10 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.95–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+, one Pb2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Pb2+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+, one Pb2+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Te6+ atom.},
doi = {10.17188/1270563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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