Materials Data on Ga2PbSe4 by Materials Project
Abstract
PbGa2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.46 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 3.19–3.31 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.24 Å) and four longer (3.27 Å) Pb–Se bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.28 Å) Pb–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted water-like geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-571171
- 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; Ga2PbSe4; Ga-Pb-Se
- OSTI Identifier:
- 1276120
- DOI:
- https://doi.org/10.17188/1276120
Citation Formats
The Materials Project. Materials Data on Ga2PbSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276120.
The Materials Project. Materials Data on Ga2PbSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1276120
The Materials Project. 2020.
"Materials Data on Ga2PbSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1276120. https://www.osti.gov/servlets/purl/1276120. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1276120,
title = {Materials Data on Ga2PbSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {PbGa2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.46 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 3.19–3.31 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.24 Å) and four longer (3.27 Å) Pb–Se bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.28 Å) Pb–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted water-like geometry to two Ga3+ and two Pb2+ atoms. In the second Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Ga3+ and two Pb2+ atoms. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to two Ga3+ and two Pb2+ atoms. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Ga3+ and two Pb2+ atoms.},
doi = {10.17188/1276120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}