Inorganic Solid Phases

(Ca3.15Na0.77K0.04)(Si6.84Al5.16O24)Cl0.01(CO3)0.67(SO4)0.24, scapolite Me79.6 (K0.04Na0.77Ca3.09Al5.16Si6.84[CO3]0.67[SO4]0.24Cl0.01O24, T = 1173 K) Crystal Structure

General Information

  • Phase Label(s): K0.04Na0.77Ca3.09Al5.16Si6.84[CO3]0.67[SO4]0.24Cl0.01O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): meionite
  • Pearson Symbol: tI106
  • Space Group: 87
  • Phase Prototype: Na1.06Ca2.86Al4.87Si7.13[CO3]0.41[SO4]0.57O24
  • 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; λ = 0.062260 nm (determination of cell and structural parameters), T = 1173 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): scapolite sample from Russia, Siberia, Slyudyanka, chemical analysis; (Ca3.15Na0.77K0.04)(Si6.84Al5.16O24)Cl0.01[CO3]0.67[SO4]0.24, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.04Na0.77Ca3.09Al5.16Si6.84[CO3]0.67[SO4]0.24Cl0.01O24
  • Alphabetic Formula: Al5.16[CO3]0.67Ca3.09Cl0.01K0.04Na0.77O24[SO4]0.24Si6.84
  • Published Formula: (Ca3.15Na0.77K0.04)(Si6.84Al5.16O24)Cl0.01(CO3)0.67(SO4)0.24, scapolite Me79.6
  • Refined Formula: Al4.08C0.83Ca3.18Na0.82O27.08S0.15Si7.92
  • Wyckoff Sequence: 87,i4h5a
  • Z Formula Units: 2
  • Density: ρ = 2.68 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_1221256

  • 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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