Inorganic Solid Phases

Si8.127Al3.873Fe2+0.005Ca1.279Sr0.010Na2.506K0.213S0.113C0.262Cl0.624O25.270 (K0.125Na1.56Sr0.03Ca2.26Al4.546Si7.454[CO3]0.577[SO4]0.142Cl0.281O24) Crystal Structure

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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; 1163 reflections; F > 4σ(F), R = 0.0286
  • Sample Detail(s): marialite-meionite sample from Tajikistan, Pamirs, electron microprobe analysis; Si8.127Al3.873Fe2+0.005Ca1.279Sr0.010Na2.506K0.213S0.113C0.262Cl0.624O25.270, single crystal (determination of cell parameters), single crystal, 0.14×0.16×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.21Na2.489Sr0.01Ca1.249Al3.883Si8.127[CO3]0.262[SO4]0.113Cl0.624O24
  • Alphabetic Formula: Al3.883[CO3]0.262Ca1.249Cl0.624K0.21Na2.489O24[SO4]0.113Si8.127Sr0.01
  • Published Formula: Si8.127Al3.873Fe2+0.005Ca1.279Sr0.010Na2.506K0.213S0.113C0.262Cl0.624O25.270
  • Refined Formula: Al3.87C0.26Ca1.29Cl0.62K0.21Na2.50O25.24S0.11Si8.13
  • Wyckoff Sequence: 86,g16a
  • Z Formula Units: 2
  • Density: ρ = 2.65 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
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_1221269

  • 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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