Inorganic Solid Phases

Si6.383Al5.617Fe2+0.022Ca3.713Sr0.014Na0.194K0.096S0.027C0.941Cl0.032O27.064 (K0.14Na0.32Ca3.431Fe0.018Al5.445Si6.555[CO3]0.905[SO4]0.015Cl0.073O24) Crystal Structure

General Information

  • Phase Label(s): K0.14Na0.32Ca3.431Fe0.018Al5.445Si6.555[CO3]0.905[SO4]0.015Cl0.073O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): marialite/meionite
  • Pearson Symbol: tI114
  • Space Group: 87
  • Phase Prototype: K0.24Na3.01Ca0.58Al3.52Si8.32[CO3]0.08Cl0.92O24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (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, full-matrix least-squares refinement on F2; 786 reflections; F > 4σ(F), R = 0.0233
  • Sample Detail(s): marialite-meionite sample from (Canada, Ontario, Toronto, Royal Ontario Museum), electron microprobe analysis; Si6.383Al5.617Fe2+0.022Ca3.713Sr0.014Na0.194K0.096S0.027C0.941Cl0.032O27.064, single crystal (determination of cell parameters), single crystal, 0.12×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.09Na0.189Ca3.631Fe0.022Al5.617Si6.383[CO3]0.941[SO4]0.027Cl0.032O24
  • Alphabetic Formula: Al5.617[CO3]0.941Ca3.631Cl0.032Fe0.022K0.09Na0.189O24[SO4]0.027Si6.383
  • Published Formula: Si6.383Al5.617Fe2+0.022Ca3.713Sr0.014Na0.194K0.096S0.027C0.941Cl0.032O27.064
  • Refined Formula: Al5.60C0.94Ca3.71Cl0.03K0.10Na0.19O26.82S0.03Si6.40
  • Wyckoff Sequence: 87,i3h8a
  • Z Formula Units: 2
  • Density: ρ = 2.73 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_1221266

  • 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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