Inorganic Solid Phases

Si7.790Al4.210Fe2+0.008Ca1.801Sr0.012Na2.067K0.095S0.089C0.454Cl0.457O25.742 (K0.125Na1.56Sr0.03Ca2.26Al4.546Si7.454[CO3]0.577[SO4]0.142Cl0.281O24) Crystal Structure

General Information

  • Phase Label(s): K0.125Na1.56Sr0.03Ca2.26Al4.546Si7.454[CO3]0.577[SO4]0.142Cl0.281O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): marialite
  • Pearson Symbol: tP122
  • Space Group: 86
  • Phase Prototype: H0.08K0.1Na2Ca1.84Al4.24Si7.76[CO3]0.475[SO4]0.09Cl0.49O24[H2O]0.03
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, silicate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 1248 reflections; F > 4σ(F), R = 0.0259
  • Sample Detail(s): marialite-meionite sample from Madagascar (Malagasy Republic), electron microprobe analysis; Si7.790Al4.210Fe2+0.008Ca1.801Sr0.012Na2.067K0.095S0.089C0.454Cl0.457O25.742, single crystal (determination of cell parameters), single crystal, 0.18 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.095Na2.06Sr0.012Ca1.787Al4.21Si7.79[CO3]0.454[SO4]0.089Cl0.457O24
  • Alphabetic Formula: Al4.21[CO3]0.454Ca1.787Cl0.457K0.095Na2.06O24[SO4]0.089Si7.79Sr0.012
  • Published Formula: Si7.790Al4.210Fe2+0.008Ca1.801Sr0.012Na2.067K0.095S0.089C0.454Cl0.457O25.742
  • Refined Formula: Al4.24C0.45Ca1.83Cl0.46K0.09Na2.08O25.71S0.09Si7.76
  • Wyckoff Sequence: 86,g15a
  • Z Formula Units: 2
  • Density: ρ = 2.67 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221271

  • 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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