Inorganic Solid Phases

K0.05Na3.11Ca0.83Fe3+0.09Al3.66Si8.34[SO4]0.03Cl0.84O24[OH]0.15 (Na3.16Ca0.83Fe0.09Al3.66Si8.34[CO3]0.19[SO4]0.03Cl0.84O24[OH]0.15) Crystal Structure

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General Information

  • Phase Label(s): Na3.16Ca0.83Fe0.09Al3.66Si8.34[CO3]0.19[SO4]0.03Cl0.84O24[OH]0.15
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): marialite
  • Pearson Symbol: tI130
  • Space Group: 87
  • Phase Prototype: Na3.16Ca0.83Fe0.09Al3.66Si8.34[CO3]0.19[SO4]0.03Cl0.84O24[OH]0.15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; ADP-2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, hydroxide, sulfate, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 1225 reflections, RP = 0.0409; wRP = 0.0534; RB = 0.0224
  • Sample Detail(s): marialite sample from Tajikistan, Pamirs, Kukurt deposit, electron microprobe analysis; 57.74 wt.% SiO2, 21.49 wt.% Al2O3, 11.1 wt.% Na2O, 5.38 wt.% CaO, 3.41 wt.% Cl, 0.29 wt.% K2O, 0.27 wt.% SO3, 0.16 wt.% H2O, 0.08 wt.% BaO, 0.08 wt.% Fe2O3, 0.07 wt.% SrO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.16Ca0.83Fe0.09Al3.66Si8.34[CO3]0.19[SO4]0.03Cl0.84O24[OH]0.15
  • Alphabetic Formula: Al3.66[CO3]0.19Ca0.83Cl0.84Fe0.09Na3.16O24[OH]0.15[SO4]0.03Si8.34
  • Published Formula: K0.05Na3.11Ca0.83Fe3+0.09Al3.66Si8.34[SO4]0.03Cl0.84O24[OH]0.15
  • Refined Formula: Al3.66C0.19Ca0.81Cl0.84Fe0.09Na3.10O24.70S0.03Si8.34
  • Wyckoff Sequence: 87,i4h8a
  • Z Formula Units: 2
  • Density: ρ = 2.64 Mg·m−3
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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_1818876

  • 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)

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