Inorganic Solid Phases

(Hg2)8(Ni,Mg)6(CO3)12(OH)12(H3O)8(H2O)x, x= 3 ([H3O]4Mg0.75Hg8Ni2.25[CO3]6[OH]6[H2O]1.5) Crystal Structure

General Information

  • Phase Label(s): [H3O]4Mg0.75Hg8Ni2.25[CO3]6[OH]6[H2O]1.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): szymanskiite
  • Pearson Symbol: hP100
  • Space Group: 173
  • Phase Prototype: [H3O]4(Mg0.25Ni0.75)3Hg8[CO3]6[OH]6[H2O]1.5
  • Measurement Detail(s): automatic diffractometer; 98 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2155 reflections; I > 2.5σ(I), R = 0.0349; wR = 0.0388
  • Sample Detail(s): szymanskiite sample from U.S.A. California, San Benito County, Clear Creek mine, single crystal (determination of cell parameters), single crystal, 0.03×0.03×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [H3O]4Mg0.75Hg8Ni2.25[CO3]6[OH]6[H2O]1.5
  • Alphabetic Formula: [CO3]6[H2O]1.5[H3O]4Hg8Mg0.75Ni2.25[OH]6
  • Published Formula: (Hg2)8(Ni,Mg)6(CO3)12(OH)12(H3O)8(H2O)x, x= 3
  • Refined Formula: C6H20.80Hg8Mg0.75Ni2.25O26.76
  • Wyckoff Sequence: 173,c16b2
  • Z Formula Units: 2
  • Density: ρ = 4.89 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617905

  • 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