Inorganic Solid Phases

H0.08K0.10Na2.00Ca1.83Fe2+0.01Al4.24Si7.76[SO4]0.09Cl0.47O24F0.02[H2O]0.03 (K0.2Na2.42Ca1.33Al3.9Si8.11[CO3]0.28[SO4]0.13Cl0.58O24[OH]0.02) Crystal Structure

General Information

  • Phase Label(s): K0.2Na2.42Ca1.33Al3.9Si8.11[CO3]0.28[SO4]0.13Cl0.58O24[OH]0.02
  • 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; ADP-2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, sulfate, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 2286 reflections, RP = 0.0462; wRP = 0.0603; RB = 0.0352
  • Sample Detail(s): scapolite sample from Madagascar (Malagasy Republic), electron microprobe analysis; 51.48 wt.% SiO2, 23.9 wt.% Al2O3, 11.34 wt.% CaO, 6.86 wt.% Na2O, 2.18 wt.% CO2, 1.84 wt.% Cl, 0.81 wt.% SO3, 0.5 wt.% K2O, 0.14 wt.% H2O, 0.1 wt.% SrO, 0.05 wt.% F, 0.04 wt.% BaO, 0.01 wt.% Fe2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.08K0.1Na2Ca1.84Al4.24Si7.76[CO3]0.475[SO4]0.09Cl0.49O24[H2O]0.03
  • Alphabetic Formula: Al4.24[CO3]0.475Ca1.84Cl0.49H0.08[H2O]0.03K0.1Na2O24[SO4]0.09Si7.76
  • Published Formula: H0.08K0.10Na2.00Ca1.83Fe2+0.01Al4.24Si7.76[SO4]0.09Cl0.47O24F0.02[H2O]0.03
  • Refined Formula: Al4.24C0.48Ca1.84Cl0.49K0.10Na2O25.79S0.09Si7.76
  • Wyckoff Sequence: 86,g15a
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818880

  • 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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