Inorganic Solid Phases

HgSe0.4S0.6 hexagonal (HgSe0.5S0.5 hp, p = 1.2 GPa) Crystal Structure

General Information

  • Phase Label(s): HgSe0.5S0.5 hp
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hP6
  • Space Group: 152
  • Phase Prototype: HgS
  • Measurement Detail(s): automatic diffractometer; Russia, Dubna, Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, IBR-2 reactor, DN-12 (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), p = 1.2 GPa (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): electron microprobe analysis; composition confirmed, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: HgSe0.4S0.6
  • Alphabetic Formula: HgS0.6Se0.4
  • Published Formula: HgSe0.4S0.6 hexagonal
  • Refined Formula: HgS0.60Se0.40
  • Wyckoff Sequence: 152,ba
  • Z Formula Units: 3
  • Density: ρ = 9.01 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020345

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied