Inorganic Solid Phases

(Na6.51Ca1.33K0.06)[Si6.17Al5.83O24][SO4]1.3S0.29(S2)0.11Cl0.1 (K0.06Na6.51Ca1.33Al5.83Si6.17S0.51[SO4]1.3Cl0.1O24) Crystal Structure

General Information

  • Phase Label(s): K0.06Na6.51Ca1.33Al5.83Si6.17S0.51[SO4]1.3Cl0.1O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): haüyne/lazurite 6O
  • Pearson Symbol: oP424
  • Space Group: 56
  • Phase Prototype: K0.06Na6.51Ca1.33Al5.83Si6.17S0.51[SO4]1.3Cl0.1O24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, silicate, chloride, sulfide
  • Interpretation Detail(s): commensurate approximant determined, full-matrix least-squares refinement; 1460 reflections, R = 0.068
  • Sample Detail(s): lazurite sample from Pamirs (south-west), Lyazhvardarinsk, sample prepared from lazurite, chemical analysis; (Na6.47Ca1.29K0.08)(Si6.16Al5.84O24)[SO4]1.83Cl0.10, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.06Na6.51Ca1.33Al5.83Si6.17S0.51[SO4]1.3Cl0.1O24
  • Alphabetic Formula: Al5.83Ca1.33Cl0.1K0.06Na6.51O24S0.51[SO4]1.3Si6.17
  • Published Formula: (Na6.51Ca1.33K0.06)[Si6.17Al5.83O24][SO4]1.3S0.29(S2)0.11Cl0.1
  • Refined Formula: Al5.83Ca1.33Cl0.12K0.11Na6.51O29.55S1.92Si6.17
  • Wyckoff Sequence: 56,e52dc
  • Z Formula Units: 6
  • Density: ρ = 2.37 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602064

  • 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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