Materials Data on ZrTe by Materials Project

doi:10.17188/1274782

Title: Materials Data on ZrTe by Materials Project

Dataset
Other Related Research

Abstract

ZrTe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–54°. There are a spread of Zr–Te bond distances ranging from 2.89–3.08 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Zr2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-568865

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; ZrTe; Te-Zr

OSTI Identifier:: 1274782

DOI:: https://doi.org/10.17188/1274782

Citation Formats


                    The Materials Project. Materials Data on ZrTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274782.

Copy to clipboard


                    The Materials Project. Materials Data on ZrTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1274782

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on ZrTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1274782.  https://www.osti.gov/servlets/purl/1274782. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274782,

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

  author       = {The Materials Project},

  abstractNote = {ZrTe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–54°. There are a spread of Zr–Te bond distances ranging from 2.89–3.08 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Zr2+ atoms.},

  doi          = {10.17188/1274782},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274782

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on ZrTe by Materials Project

Dataset The Materials Project

ZrTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner and edge-sharing ZrTe6 pentagonal pyramids. All Zr–Te bond lengths are 2.97 Å. Te2- is bonded to six equivalent Zr2+ atoms to form a mixture of distorted corner, edge, and face-sharing TeZr6 octahedra. The corner-sharing octahedral tilt angles are 43°.
Materials Data on ZrTe by Materials Project

Dataset The Materials Project

ZrTe is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrTe6 pentagonal pyramids. All Zr–Te bond lengths are 2.93 Å. Te2- is bonded to six equivalent Zr2+ atoms to form a mixture of distorted corner, edge, and face-sharing TeZr6 pentagonal pyramids.
Materials Data on ZrTe by Materials Project

Dataset The Materials Project

ZrTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Zr–Te bond lengths are 2.94 Å. Te2- is bonded to six equivalent Zr2+ atoms to form a mixture of distorted corner and edge-sharing TeZr6 pentagonal pyramids.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records