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Title: Materials Data on Zn2As2PbO10 by Materials Project

Abstract

Zn2PbAs2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent PbO6 octahedra, corners with four equivalent AsO4 tetrahedra, and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Zn–O bond distances ranging from 2.00–2.35 Å. Pb is bonded to six O atoms to form PbO6 octahedra that share corners with four equivalent ZnO6 octahedra and corners with six equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are two shorter (2.43 Å) and four longer (2.68 Å) Pb–O bond lengths. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent PbO6 octahedra and corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded inmore » a distorted bent 120 degrees geometry to one Pb and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Zn, one Pb, and one As atom. In the fourth O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one As atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1105438
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; Zn2As2PbO10; As-O-Pb-Zn
OSTI Identifier:
1685217
DOI:
https://doi.org/10.17188/1685217

Citation Formats

The Materials Project. Materials Data on Zn2As2PbO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685217.
The Materials Project. Materials Data on Zn2As2PbO10 by Materials Project. United States. doi:https://doi.org/10.17188/1685217
The Materials Project. 2020. "Materials Data on Zn2As2PbO10 by Materials Project". United States. doi:https://doi.org/10.17188/1685217. https://www.osti.gov/servlets/purl/1685217. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685217,
title = {Materials Data on Zn2As2PbO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2PbAs2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent PbO6 octahedra, corners with four equivalent AsO4 tetrahedra, and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Zn–O bond distances ranging from 2.00–2.35 Å. Pb is bonded to six O atoms to form PbO6 octahedra that share corners with four equivalent ZnO6 octahedra and corners with six equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are two shorter (2.43 Å) and four longer (2.68 Å) Pb–O bond lengths. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent PbO6 octahedra and corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Zn, one Pb, and one As atom. In the fourth O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one As atom.},
doi = {10.17188/1685217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}