Materials Data on HgO by Materials Project

doi:10.17188/1307632

Title: Materials Data on HgO by Materials Project

Dataset
Other Related Research

Abstract

HgO is Cinnabar structured and crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one HgO ribbon oriented in the (0, 0, 1) direction. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.07 Å. O2- is bonded in a distorted water-like geometry to two equivalent Hg2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-7826

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-O; HgO; crystal structure

OSTI Identifier:: 1307632

DOI:: https://doi.org/10.17188/1307632

Citation Formats


                    Materials Data on HgO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307632.

Copy to clipboard


                    Materials Data on HgO by Materials Project.  United States.  doi:https://doi.org/10.17188/1307632

Copy to clipboard


                    2020.  
"Materials Data on HgO by Materials Project".  United States.  doi:https://doi.org/10.17188/1307632.  https://www.osti.gov/servlets/purl/1307632. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1307632,

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

  
  abstractNote = {HgO is Cinnabar structured and crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one HgO ribbon oriented in the (0, 0, 1) direction. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.07 Å. O2- is bonded in a distorted water-like geometry to two equivalent Hg2+ atoms.},

  doi          = {10.17188/1307632},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1307632

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on HgO by Materials Project

Dataset

HgO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two HgO ribbons oriented in the (0, 0, 1) direction. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) Hg–O bond lengths. O2- is bonded in a distorted water-like geometry to two equivalent Hg2+ atoms.
Materials Data on HgOs by Materials Project

Dataset

OsHg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os2- is bonded to six equivalent Os2- and six equivalent Hg2+ atoms to form OsHg6Os6 cuboctahedra that share corners with eighteen equivalent OsHg6Os6 cuboctahedra, edges with six equivalent OsHg6Os6 cuboctahedra, edges with twelve equivalent HgHg6Os6 cuboctahedra, faces with eight equivalent OsHg6Os6 cuboctahedra, and faces with twelve equivalent HgHg6Os6 cuboctahedra. All Os–Os bond lengths are 2.89 Å. All Os–Hg bond lengths are 2.92 Å. Hg2+ is bonded to six equivalent Os2- and six equivalent Hg2+ atoms to form HgHg6Os6 cuboctahedra that share corners with eighteen equivalent HgHg6Os6 cuboctahedra, edgesmore »« less
Materials Data on HgO by Materials Project

Dataset

HgO crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.06 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.06 Å. In the third Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.07–2.99 Å. In the fourth Hg2+ site,more »« less
Materials Data on HgO by Materials Project

Dataset

HgO is Halite, Rock Salt structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing HgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Hg–O bond distances ranging from 2.44–2.49 Å. O2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing OHg6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
Materials Data on Ti(HgO)3 by Materials Project

Dataset

Ti(HgO)3 crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two Ti(HgO)3 ribbons oriented in the (0, 0, 1) direction. Ti2+ is bonded in a distorted single-bond geometry to three Hg+1.33+ and one O2- atom. There are two shorter (2.67 Å) and one longer (2.72 Å) Ti–Hg bond lengths. The Ti–O bond length is 1.67 Å. There are two inequivalent Hg+1.33+ sites. In the first Hg+1.33+ site, Hg+1.33+ is bonded in a bent 150 degrees geometry to one Ti2+ and one O2- atom. The Hg–O bond length is 2.35 Å. In the second Hg+1.33+ site,more »« less

Similar Records