Inorganic Solid Phases

marialite-6.4 % meionite (K0.2Na3.1Ca0.7Al3.7Si8.3ClO24) Crystal Structure

General Information

  • Phase Label(s): K0.2Na3.1Ca0.7Al3.7Si8.3ClO24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): marialite
  • Pearson Symbol: tI82
  • Space Group: 87
  • Phase Prototype: K0.2Na3.1Ca0.7(Al0.31Si0.69)12ClO24
  • 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): silicate, chloride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 80 variables; 952 reflections, R = 0.0322; RP = 0.0489; wRP = 0.0678; RB = 0.0286
  • Sample Detail(s): marialite sample from Tajikistan, Pamirs, energy-dispersive X-ray analysis; 60.60 wt.% SiO2, 19.15 wt.% Al2O3, 0.11 wt.% FeO, 0.04 wt.% MnO, 0.29 wt.% MgO, 1.68 wt.% CaO, 12.76 wt.% Na2O, 1.25 wt.% K2O, 0.04 wt.% TiO2, 3.90 wt.% Cl, 0.18 wt.% SO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.3Na3.5Ca0.2Al3.4Si8.6ClO24
  • Alphabetic Formula: Al3.4Ca0.2ClK0.3Na3.5O24Si8.6
  • Published Formula: marialite-6.4 % meionite
  • Refined Formula: Al3.52Ca0.22ClK0.26Na3.45O24Si8.24
  • Wyckoff Sequence: 87,i3h4a
  • Z Formula Units: 2
  • Density: ρ = 2.58 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012724

  • 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

    Citation copied