Inorganic Solid Phases

K☐2(Fe2+Fe3+)Zn3[Si12O30] (K0.78Na0.55Zn2.74Mn0.36Fe1.64Si12O30, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): K0.78Na0.55Zn2.74Mn0.36Fe1.64Si12O30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): klöchite
  • Pearson Symbol: hP100
  • Space Group: 192
  • Phase Prototype: KNaMg5Si12O30
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 44 variables; 451 reflections, R = 0.0231; wR = 0.0674
  • Sample Detail(s): klöchite sample from Austria, Styria, Klöch volcano, electron microprobe analysis; (K0.78Na0.22)(☐1.67Na0.33)(Fe3+1.19Fe2+0.45Mn0.27Ca0.04Co0.02Ni0.01Mg0.01Ti0.01)(☐0.25Zn2.63Fe2+0.10Li0.02)[Si12.00O30.00], single crystal (determination of cell parameters), single crystal, 0.06×0.08×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.78Na0.55Zn2.74Mn0.36Fe1.64Si12O30
  • Alphabetic Formula: Fe1.64K0.78Mn0.36Na0.55O30Si12Zn2.74
  • Published Formula: K☐2(Fe2+Fe3+)Zn3[Si12O30]
  • Refined Formula: Fe1.74K0.81Mn0.26Na0.35O30Si12Zn2.79
  • Wyckoff Sequence: 192,m3lfdca
  • Z Formula Units: 2
  • Density: ρ = 3.01 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

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_1226467

  • 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