Materials Data on CrH by Materials Project

doi:10.17188/1200013

Title: Materials Data on CrH by Materials Project

Dataset
Other Related Research

Abstract

CrH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–H bond lengths are 1.89 Å. H is bonded to six equivalent Cr atoms to form a mixture of corner and edge-sharing HCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-21

Other Number(s):: mp-24287

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; Cr-H; CrH; crystal structure

OSTI Identifier:: 1200013

DOI:: https://doi.org/10.17188/1200013

Citation Formats


                    Materials Data on CrH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200013.

Copy to clipboard


                    Materials Data on CrH by Materials Project.  United States.  doi:https://doi.org/10.17188/1200013

Copy to clipboard


                    2020.  
"Materials Data on CrH by Materials Project".  United States.  doi:https://doi.org/10.17188/1200013.  https://www.osti.gov/servlets/purl/1200013. Pub date:Tue Jul 21 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1200013,

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

  
  abstractNote = {CrH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–H bond lengths are 1.89 Å. H is bonded to six equivalent Cr atoms to form a mixture of corner and edge-sharing HCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1200013},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1200013

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CrH by Materials Project

Dataset

CrH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner, edge, and face-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cr–H bond lengths are 1.94 Å. H is bonded to six equivalent Cr atoms to form a mixture of distorted corner and edge-sharing HCr6 pentagonal pyramids.
Materials Data on CrH by Materials Project

Dataset

CrH is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr is bonded to four equivalent H atoms to form corner-sharing CrH4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.69 Å) Cr–H bond length. H is bonded to four equivalent Cr atoms to form corner-sharing HCr4 tetrahedra.
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.

Similar Records