Materials Data on NiP by Materials Project

doi:10.17188/1749123

Title: Materials Data on NiP by Materials Project

Dataset
Other Related Research

Abstract

NiP crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five P2- atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.34 Å. In the second Ni2+ site, Ni2+ is bonded to six P2- atoms to form distorted face-sharing NiP6 octahedra. There are a spread of Ni–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to six Ni2+ atoms. In the second P2- site, P2- is bonded in a 5-coordinate geometry to five Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1102036

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; NiP; Ni-P

OSTI Identifier:: 1749123

DOI:: https://doi.org/10.17188/1749123

Citation Formats


                    The Materials Project. Materials Data on NiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749123.

Copy to clipboard


                    The Materials Project. Materials Data on NiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1749123

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1749123.  https://www.osti.gov/servlets/purl/1749123. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749123,

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

  author       = {The Materials Project},

  abstractNote = {NiP crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five P2- atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.34 Å. In the second Ni2+ site, Ni2+ is bonded to six P2- atoms to form distorted face-sharing NiP6 octahedra. There are a spread of Ni–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to six Ni2+ atoms. In the second P2- site, P2- is bonded in a 5-coordinate geometry to five Ni2+ atoms.},

  doi          = {10.17188/1749123},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749123

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Eu(NiP)2 by Materials Project

Dataset The Materials Project

EuNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Eu–P bond lengths are 3.04 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.41 Å.
Materials Data on Ca(NiP)2 by Materials Project

Dataset The Materials Project

CaNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ca–P bond lengths are 3.00 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.29 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.32 Å.
Materials Data on Er(NiP)2 by Materials Project

Dataset The Materials Project

ErNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Er–P bond lengths are 2.95 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.27 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.28 Å.
Materials Data on NiP by Materials Project

Dataset The Materials Project

NiP is Millerite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ni2+ is bonded in a 5-coordinate geometry to five equivalent P2- atoms. There are a spread of Ni–P bond distances ranging from 2.25–2.33 Å. P2- is bonded in a 5-coordinate geometry to five equivalent Ni2+ atoms.
Materials Data on Gd(NiP)2 by Materials Project

Dataset The Materials Project

GdNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Gd–P bond lengths are 2.99 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.28 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.33 Å.

Similar Records