U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnP14Pb by Materials Project
Abstract
ZnPbP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a rectangular see-saw-like geometry to four P+0.29- atoms. There are a spread of Zn–P bond distances ranging from 2.34–2.64 Å. Pb2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are a spread of Pb–P bond distances ranging from 2.96–3.04 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded to one Zn2+, one Pb2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PZnP2Pb tetrahedra. Both P–P bond lengths are 2.21 Å. In the second P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.20–2.35 Å. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.21 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. Both P–P bond lengths are 2.21 Å. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bondmore »
- Publication Date:
- Other Number(s):
- mp-1204907
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; P-Pb-Zn; ZnP14Pb; crystal structure
- OSTI Identifier:
- 1708591
- DOI:
- https://doi.org/10.17188/1708591
Citation Formats
Materials Data on ZnP14Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708591.
Materials Data on ZnP14Pb by Materials Project. United States. doi:https://doi.org/10.17188/1708591
2020.
"Materials Data on ZnP14Pb by Materials Project". United States. doi:https://doi.org/10.17188/1708591. https://www.osti.gov/servlets/purl/1708591. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1708591,
title = {Materials Data on ZnP14Pb by Materials Project},
abstractNote = {ZnPbP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a rectangular see-saw-like geometry to four P+0.29- atoms. There are a spread of Zn–P bond distances ranging from 2.34–2.64 Å. Pb2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are a spread of Pb–P bond distances ranging from 2.96–3.04 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded to one Zn2+, one Pb2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PZnP2Pb tetrahedra. Both P–P bond lengths are 2.21 Å. In the second P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.20–2.35 Å. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.21 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. Both P–P bond lengths are 2.21 Å. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.22 Å. In the sixth P+0.29- site, P+0.29- is bonded to one Zn2+, one Pb2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PZnP2Pb tetrahedra. In the seventh P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths. In the eighth P+0.29- site, P+0.29- is bonded to one Zn2+, one Pb2+, and two P+0.29- atoms to form distorted corner-sharing PZnP2Pb trigonal pyramids. In the ninth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms.},
doi = {10.17188/1708591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}