Inorganic Solid Phases

Hg2+Hg+10O4I2(Br,Cl)2 (Hg11I2Br0.81Cl1.19O4) Crystal Structure

General Information

  • Phase Label(s): Hg11I2Br0.81Cl1.19O4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tedhadleyite
  • Pearson Symbol: aP19
  • Space Group: 2
  • Phase Prototype: Hg11I2(Br0.40Cl0.60)2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, chloride, iodide, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 2677 reflections, R = 0.045; wR = 0.126
  • Sample Detail(s): tedhadleyite sample from U.S.A. California, San Benito County, Clear Creek mine, single crystal (determination of cell parameters), single crystal, 0.02×0.08×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Hg11I2Br0.81Cl1.19O4
  • Alphabetic Formula: Br0.81Cl1.19Hg11I2O4
  • Published Formula: Hg2+Hg+10O4I2(Br,Cl)2
  • Refined Formula: Br0.81Cl1.19Hg11I2O4
  • Wyckoff Sequence: 2,i9e
  • Z Formula Units: 1
  • Density: ρ = 9.43 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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223324

  • 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

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