Inorganic Solid Phases

(Ca1.29Na2.36K0.28)[Si8.08Al3.92O24]Cl0.61(CO3)0.30(SO4)0.02, scapolite Me32.9, marialite (K0.28Na2.35Ca1.27Al3.92Si8.08[CO3]0.3[SO4]0.02Cl0.61O24, T = 876 K) Crystal Structure

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General Information

  • Phase Label(s): K0.28Na2.35Ca1.27Al3.92Si8.08[CO3]0.3[SO4]0.02Cl0.61O24
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): marialite
  • Pearson Symbol: tP90
  • Space Group: 86
  • Phase Prototype: Na3.2Ca0.85Al3.65Si8.35[CO3]0.25Cl0.75O24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 1-BM beamline (determination of structural parameters), X-rays, synchrotron (determination of cell and structural parameters), T = 876 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, sulfate, silicate, chloride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement
  • Sample Detail(s): marialite sample from Canada, Ontario, Monmouth Township, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.28Na2.35Ca1.27Al3.92Si8.08[CO3]0.3[SO4]0.02Cl0.61O24
  • Alphabetic Formula: Al3.92[CO3]0.3Ca1.27Cl0.61K0.28Na2.35O24[SO4]0.02Si8.08
  • Published Formula: (Ca1.29Na2.36K0.28)[Si8.08Al3.92O24]Cl0.61(CO3)0.30(SO4)0.02, scapolite Me32.9, marialite
  • Refined Formula: Al3.56C0.24Ca1.22Cl0.76Na2.78O24.72Si8.44
  • Wyckoff Sequence: 86,g11a
  • Z Formula Units: 2
  • Density: ρ = 2.59 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_1221230

  • 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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