Inorganic Solid Phases

(Na1.6K0.2Ca0.2)[Ca2(Fe3.6Al1.6Mn0.8)(OH)9(H2O)2][Fe3.9Ti0.1)(OH)5(H2O)2][Si16O38(OH)2]·6H2O (K0.1Na0.8Ca1.1Ti0.05Mn0.4Fe3.75Al0.8Si8O19[OH]8[H2O]5) Crystal Structure

General Information

  • Phase Label(s): K0.1Na0.8Ca1.1Ti0.05Mn0.4Fe3.75Al0.8Si8O19[OH]8[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): palygorskite A
  • Pearson Symbol: aP102
  • Space Group: 2
  • Phase Prototype: K0.1Na0.8Ca1.1Ti0.05Mn0.4Fe3.75Al0.8Si8O19[OH]8[H2O]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 460 variables; 4168 reflections; F > 7σ(F), R = 0.055
  • Sample Detail(s): palygorskite sample from Namibia, Windhoek, Aris deposit, energy-dispersive X-ray analysis; K0.1Na0.7Ca1.1Fe3.8Al0.8Mn0.4Ti0.1Si8O19[OH]8[H2O]5, twinned crystal (determination of cell parameters), twinned crystal, 0.25×0.25×0.75 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.8Ca1.1Ti0.05Mn0.4Fe3.75Al0.8Si8O19[OH]8[H2O]5
  • Alphabetic Formula: Al0.8Ca1.1Fe3.75[H2O]5K0.1Mn0.4Na0.8O19[OH]8Si8Ti0.05
  • Published Formula: (Na1.6K0.2Ca0.2)[Ca2(Fe3.6Al1.6Mn0.8)(OH)9(H2O)2][Fe3.9Ti0.1)(OH)5(H2O)2][Si16O38(OH)2]·6H2O
  • Refined Formula: Al0.80Ca1.10Fe3.70H17.98K0.10Mn0.40Na0.80O31.98Si8Ti0.10
  • Wyckoff Sequence: 2,i51
  • Z Formula Units: 2
  • Density: ρ = 2.79 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_1128028

  • 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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