Materials Data on Zn3P2 by Materials Project

doi:10.17188/1697218

Title: Materials Data on Zn3P2 by Materials Project

Dataset
Other Related Research

Abstract

Zn3P2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Zn2+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted octahedral geometry to six equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1197170

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-Zn; Zn3P2; crystal structure

OSTI Identifier:: 1697218

DOI:: https://doi.org/10.17188/1697218

Citation Formats


                    Materials Data on Zn3P2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1697218.

Copy to clipboard


                    Materials Data on Zn3P2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1697218

Copy to clipboard


                    2020.  
"Materials Data on Zn3P2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1697218.  https://www.osti.gov/servlets/purl/1697218. Pub date:Wed Apr 29 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1697218,

  title        = {Materials Data on Zn3P2 by Materials Project},

  
  abstractNote = {Zn3P2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Zn2+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted octahedral geometry to six equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.},

  doi          = {10.17188/1697218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1697218

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Zn3P2 by Materials Project

Dataset

Zn3P2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.80 Å. In the second Zn2+ site, Zn2+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.80 Å. In the third Zn2+ site, Zn2+ is bondedmore »« less
Materials Data on Zn3P2 by Materials Project

Dataset

Zn3P2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. All Zn–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.
Materials Data on Zn3P2(H2O3)4 by Materials Project

Dataset

Zn3P2(H2O3)4 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 six O2- atoms to form ZnO6 octahedra that share corners with two equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.08–2.19 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.04 Å. P5+ is bondedmore »« less
Materials Data on Zn3P2(H2O3)4 by Materials Project

Dataset

Zn3P2(H2O3)4 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 ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.02 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with two equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.09–2.23 Å. P5+ is bondedmore »« less
Materials Data on Zn3P2(HO2)4 by Materials Project

Dataset

(Zn3P2HO8)2(H2)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four molecular hydrogen molecules and one Zn3P2HO8 framework. In the Zn3P2HO8 framework, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to one H and two equivalent O2- atoms. The Zn–H bond length is 1.55 Å. Both Zn–O bond lengths are 1.86 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. Theremore »« less

Similar Records