Materials Data on HgS by Materials Project

doi:10.17188/1187346

Title: Materials Data on HgS by Materials Project

Dataset
Other Related Research

Abstract

HgS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing HgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–S bond lengths are 2.79 Å. S2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing SHg6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-10764

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; Hg-S; HgS; crystal structure

OSTI Identifier:: 1187346

DOI:: https://doi.org/10.17188/1187346

Citation Formats


                    Materials Data on HgS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187346.

Copy to clipboard


                    Materials Data on HgS by Materials Project.  United States.  doi:https://doi.org/10.17188/1187346

Copy to clipboard


                    2020.  
"Materials Data on HgS by Materials Project".  United States.  doi:https://doi.org/10.17188/1187346.  https://www.osti.gov/servlets/purl/1187346. Pub date:Thu Jul 16 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1187346,

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

  
  abstractNote = {HgS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing HgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–S bond lengths are 2.79 Å. S2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing SHg6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187346},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187346

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Hg by Materials Project

Dataset

Hg is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms. All Hg–Hg bond lengths are 3.40 Å.
Materials Data on Hg by Materials Project

Dataset

Hg crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one Hg ribbon oriented in the (0, 0, 1) direction and one Hg framework. In the Hg ribbon, Hg is bonded in a linear geometry to two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.29 Å. In the Hg framework, Hg is bonded to five equivalent Hg atoms to form a mixture of edge and corner-sharing HgHg5 trigonal bipyramids. There are three shorter (3.21 Å) and two longer (3.29 Å) Hg–Hg bond lengths.
Materials Data on HgS by Materials Project

Dataset

HgS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form corner-sharing HgS4 tetrahedra. All Hg–S bond lengths are 2.60 Å. S2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SHg4 tetrahedra.
Materials Data on Hg by Materials Project

Dataset

Hg is Copper structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three mercury molecules. Hg is bonded in a 12-coordinate geometry to atoms.
Materials Data on Hg by Materials Project

Dataset

Hg is Magnesium structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two Hg ribbons oriented in the (0, 0, 1) direction. Hg is bonded in a distorted bent 120 degrees geometry to two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.40 Å.

Similar Records