Materials Data on NiTe by Materials Project

doi:10.17188/1186862

Title: Materials Data on NiTe by Materials Project

Dataset
Other Related Research

Abstract

NiTe is lead oxide-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three NiTe sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing NiTe4 tetrahedra. There are three shorter (2.50 Å) and one longer (2.54 Å) Ni–Te bond lengths. Te2- is bonded in a 4-coordinate geometry to four equivalent Ni2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-10264

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; Ni-Te; NiTe; crystal structure

OSTI Identifier:: 1186862

DOI:: https://doi.org/10.17188/1186862

Citation Formats


                    Materials Data on NiTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186862.

Copy to clipboard


                    Materials Data on NiTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1186862

Copy to clipboard


                    2020.  
"Materials Data on NiTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1186862.  https://www.osti.gov/servlets/purl/1186862. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1186862,

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

  
  abstractNote = {NiTe is lead oxide-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three NiTe sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing NiTe4 tetrahedra. There are three shorter (2.50 Å) and one longer (2.54 Å) Ni–Te bond lengths. Te2- is bonded in a 4-coordinate geometry to four equivalent Ni2+ atoms.},

  doi          = {10.17188/1186862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1186862

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on NiTe by Materials Project

Dataset

NiTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing NiTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni–Te bond lengths are 2.67 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Ni2+ atoms.
Materials Data on Ta(NiTe)2 by Materials Project

Dataset

Ta(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta(NiTe)2 sheets oriented in the (0, 0, 1) direction. Ta is bonded in a 11-coordinate geometry to eight Ni and three Te atoms. There are a spread of Ta–Ni bond distances ranging from 2.71–2.76 Å. There are two shorter (2.90 Å) and one longer (2.95 Å) Ta–Te bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ta, two equivalent Ni, and three Te atoms. There are one shorter (2.41 Å)more »« less
Materials Data on Sc5(NiTe)2 by Materials Project

Dataset

Sc5(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.60 Å) and one longer (2.65 Å) Sc–Ni bond lengths. There are one shorter (2.99 Å) and two longer (3.08 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 7-coordinate geometry to six Ni and one Te atom. There are a spread of Sc–Ni bond distances ranging from 2.63–2.86 Å. The Sc–Te bondmore »« less
Materials Data on Er7(NiTe)2 by Materials Project

Dataset

Er7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.17 Å) and one longer (3.21 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.77 Å) and one longer (3.16 Å) Er–Ni bond lengths. The Er–Te bond length is 3.17 Å. In the third Er site, Er is bonded in a distortedmore »« less
Materials Data on Lu7(NiTe)2 by Materials Project

Dataset

Lu7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.74 Å) and one longer (3.12 Å) Lu–Ni bond lengths. The Lu–Te bond length is 3.13 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.15 Å) and one longer (3.19 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinatemore »« less

Similar Records