Inorganic Solid Phases

(K,NH4)2(As,Sb)8S13·H2O (K1.5[NH4]0.5Sb2As6S13[H2O]) Crystal Structure

General Information

  • Phase Label(s): K1.5[NH4]0.5Sb2As6S13[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ambrinoite
  • Pearson Symbol: aP48
  • Space Group: 2
  • Phase Prototype: (K0.75[NH4]0.25)2(Sb0.4As0.6)5As3S13[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Italy, Trieste, Elettra Synchrotron Light Source (determination of structural parameters), X-rays, synchrotron; λ = 0.10 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 225 variables; 2667 reflections, R = 0.0353; wR = 0.0913
  • Sample Detail(s): ambrinoite sample from Italy, Alps, Piedmont, Susa Valley, electron microprobe analysis; (K1.43[NH4]0.42Na0.02Tl0.01)(As5.82Sb2.18)S13.22[H2O]1.2, single crystal (determination of cell parameters), single crystal, 0.005×0.01×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.5[NH4]0.5Sb2As6S13[H2O]
  • Alphabetic Formula: As6[H2O]K1.5[NH4]0.5S13Sb2
  • Published Formula: (K,NH4)2(As,Sb)8S13·H2O
  • Refined Formula: As6.36H3.60K1.60N0.40OS13Sb1.64
  • Wyckoff Sequence: 2,i24
  • Z Formula Units: 2
  • Density: ρ = 3.28 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226135

  • 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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