Inorganic Solid Phases

[Ag6As2S7][Ag10HgAs2S8] (Ag16HgAs4S15 ht, T = 400 K) Crystal Structure

General Information

  • Phase Label(s): Ag16HgAs4S15 ht
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fettelite high
  • Pearson Symbol: hP46
  • Space Group: 164
  • Phase Prototype: Ag16HgAs4S15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 400 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; anharmonic displacement parameters determined; temperature dependence studied, least-squares refinement on F2; 76 variables; 1219 reflections, R = 0.0302; wR = 0.0303
  • Sample Detail(s): fettelite sample from Chile, Atacama, Copiapo, Chanarcillo, single crystal (determination of cell parameters), single crystal, 0.012×0.088×0.095 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag16HgAs4S15
  • Alphabetic Formula: Ag16As4HgS15
  • Published Formula: [Ag6As2S7][Ag10HgAs2S8]
  • Refined Formula: Ag17.76As3.55S15Sb0.45
  • Wyckoff Sequence: 164,i4g2ed2cb
  • Z Formula Units: 1
  • Density: ρ = 5.78 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_1226128

  • 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