Inorganic Solid Phases

(Ca4.17Na3.31K0.46)(Si14.99Al8.69)O47.8Cl0.73(SO4)0.37(CO3)0.87 (K0.28Na2.35Ca1.27Al3.92Si8.08[CO3]0.3[SO4]0.02Cl0.61O24) Crystal Structure

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): diffractometer (determination of cell parameters), automatic diffractometer; General Electric XRD-6 (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; composition dependence studied, full-matrix least-squares refinement; 1370 reflections; F > 0σ(F), R = 0.083
  • Sample Detail(s): scapolite-wernerite sample from Madagascar (Malagasy Republic), Tsarasaotra, electron microprobe analysis; (Ca4.17Na3.31K0.46)(Si14.99Al8.69)O47.8Cl0.73[SO4]0.37[CO3]0.87, single crystal (determination of cell parameters), single crystal, 7×7×20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.3Na1.6Ca2.1Al4.5Si7.5[CO3]0.4[SO4]0.2Cl0.4O24
  • Alphabetic Formula: Al4.5[CO3]0.4Ca2.1Cl0.4K0.3Na1.6O24[SO4]0.2Si7.5
  • Published Formula: (Ca4.17Na3.31K0.46)(Si14.99Al8.69)O47.8Cl0.73(SO4)0.37(CO3)0.87
  • Refined Formula: Al4.12C0.60Ca2.08Cl0.40K0.24Na1.68O25.76Si7.88
  • Wyckoff Sequence: 86,g12a
  • Z Formula Units: 2
  • Density: ρ = 2.70 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2070294

  • 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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