Inorganic Solid Phases

Ca12Fe10Si4O32Cl6 (Ca6Fe5Si2Cl3O16, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): Ca6Fe5Si2Cl3O16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): eltyubyuite
  • Pearson Symbol: cI128
  • Space Group: 220
  • Phase Prototype: Ca6(Al0.757Si0.243)7Cl2.7O16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Proton Accelerator Research Complex J-PARC, MLF, BL-21, NOVA (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, chloride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, wRP = 0.0177
  • Sample Detail(s): eltyubyuite sample from, sample prepared from CaCO3, Fe2O3, SiO2, CaCl2, electron microprobe analysis; Ca12.0(3)Fe9.7(4)Si3.6(2)O32.4(7)Cl5.5(3), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca6Fe5Si2Cl3O16
  • Alphabetic Formula: Ca6Cl3Fe5O16Si2
  • Published Formula: Ca12Fe10Si4O32Cl6
  • Refined Formula: Ca6Cl2.70Fe5.40O16Si1.60
  • Wyckoff Sequence: 220,edc2ba
  • Z Formula Units: 4
  • Density: ρ = 3.42 Mg·m−3
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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_1041195

  • 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)

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