Materials Data on SnHgP14 by Materials Project

doi:10.17188/1191855

Title: Materials Data on SnHgP14 by Materials Project

Full Record
Other Related Research

Abstract

HgSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a trigonal pyramidal geometry to four P+0.29- atoms. There are a spread of Hg–P bond distances ranging from 2.59–2.77 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.97 Å. There are nine inequivalent P+0.29- sites. In the first 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 2.22–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. Both P–P bond lengths are 2.21 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 one shorter (2.20 Å) and one longer (2.22 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. The P–P bond length is 2.25 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. There aremore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1191855

Report Number(s):: mp-16403

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; SnHgP14; Hg-P-Sn

Citation Formats


                    The Materials Project. Materials Data on SnHgP14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191855.

Copy to clipboard


                    The Materials Project. Materials Data on SnHgP14 by Materials Project.  United States.  https://doi.org/10.17188/1191855

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on SnHgP14 by Materials Project".  United States.  https://doi.org/10.17188/1191855.  https://www.osti.gov/servlets/purl/1191855.

Copy to clipboard


                    
@article{osti_1191855,

  title        = {Materials Data on SnHgP14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a trigonal pyramidal geometry to four P+0.29- atoms. There are a spread of Hg–P bond distances ranging from 2.59–2.77 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.97 Å. There are nine inequivalent P+0.29- sites. In the first 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 2.22–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. Both P–P bond lengths are 2.21 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 one shorter (2.20 Å) and one longer (2.22 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. The P–P bond length is 2.25 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. There are one shorter (2.20 Å) and two longer (2.22 Å) P–P bond lengths. In the sixth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two P+0.29- atoms to form corner-sharing PSnHgP2 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. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. In the ninth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra.},

  doi          = {10.17188/1191855},

  url          = {https://www.osti.gov/biblio/1191855},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1191855

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on HgP14Pb by Materials Project

Dataset

HgPbP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a trigonal pyramidal geometry to four P+0.29- atoms. There are a spread of Hg–P bond distances ranging from 2.58–2.77 Å. Pb2+ is bonded in a 4-coordinate geometry to four P+0.29- atoms. There are a spread of Pb–P bond distances ranging from 2.80–3.03 Å. There are nine inequivalent P+0.29- sites. In the first 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 (2.22 Å) and one longer (2.25 Å) P–P bond lengths. In the second P+0.29-more »« less
https://doi.org/10.17188/1198797

View Dataset
Materials Data on CdSnP14 by Materials Project

Dataset

CdSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are three shorter (2.62 Å) and one longer (2.72 Å) Cd–P bond lengths. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.71–2.97 Å. There are nine inequivalent P+0.29- sites. In the first 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 2.21–2.30 Å. In the secondmore »« less
https://doi.org/10.17188/1651841

View Dataset
Materials Data on Ag6Hg(P10I)2 by Materials Project

Dataset

HgAg6P20I2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four P+0.30- and one I1- atom. There are a spread of Ag–P bond distances ranging from 2.54–3.20 Å. The Ag–I bond length is 3.03 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three P+0.30- and one I1- atom. There are a spread of Ag–P bond distances ranging from 2.54–2.69 Å. The Ag–I bond length is 3.02 Å. In the third Ag1+ site, Ag1+more »« less
https://doi.org/10.17188/1695153

View Dataset
Materials Data on ZnSnP14 by Materials Project

Dataset

ZnSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are a spread of Zn–P bond distances ranging from 2.45–2.52 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.72–3.02 Å. There are nine inequivalent P+0.29- sites. In the first 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 2.22–2.29 Å. In the second P+0.29- site,more »« less
https://doi.org/10.17188/1723502

View Dataset
Materials Data on ZnP14Pb by Materials Project

Dataset

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-more »« less
https://doi.org/10.17188/1708591

View Dataset

Similar Records