Inorganic Solid Phases

(Na0.36K0.1Ca0.270.27)Al3(SO4)2(OH)6 (K0.1Na0.36Ca0.27Al3[SO4]2[OH]6) Crystal Structure

General Information

  • Phase Label(s): K0.1Na0.36Ca0.27Al3[SO4]2[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): natroalunite
  • Pearson Symbol: hR120
  • Space Group: 166
  • Phase Prototype: K0.1Na0.36Ca0.27Al3[SO4]2[OH]6
  • Measurement Detail(s): automatic diffractometer; 16 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 389 reflections; F > 3σ(F), R = 0.045
  • Sample Detail(s): minamiite sample from Japan, Gunma Prefecture, Okumanza River, chemical analysis; 3.37 wt.% Na2O, 2.17 wt.% K2O, 1.94 wt.% CaO, 37.74 wt.% Al2O3, 38.09 wt.% SO3 etc., single crystal (determination of cell parameters), single crystal, 0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.36Ca0.27Al3[SO4]2[OH]6
  • Alphabetic Formula: Al3Ca0.27K0.1Na0.36[OH]6[SO4]2
  • Published Formula: (Na0.36K0.1Ca0.270.27)Al3(SO4)2(OH)6
  • Refined Formula: Al3Ca0.27H6K0.10Na0.36O14S2
  • Wyckoff Sequence: 166,h5c4ba
  • Z Formula Units: 6
  • Density: ρ = 2.81 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]
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_1615977

  • 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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