Inorganic Solid Phases

Na16Ca6Fe3Zr3Si26O72(O,OH)2Cl2 (K0.1Na15.9Sr2Ca6Zr3FeSi25ClO72[OH]2[H2O]) Crystal Structure

General Information

  • Phase Label(s): K0.1Na15.9Sr2Ca6Zr3FeSi25ClO72[OH]2[H2O]
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR486
  • Space Group: 166
  • Phase Prototype: K0.1Na15.9Sr2Ca6Zr3FeSi25ClO72[OH]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 3σ(F), R = 0.036
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.51Na14.23Sr0.26Ca6Zr3Fe2.69Si26Cl1.7O73.1[OH]0.9[H2O]0.3
  • Alphabetic Formula: Ca6Cl1.7Fe2.69[H2O]0.3K0.51Na14.23O73.1[OH]0.9Si26Sr0.26Zr3
  • Published Formula: Na16Ca6Fe3Zr3Si26O72(O,OH)2Cl2
  • Refined Formula: Ba0.05Ca5.76Cl2.01Fe2.94H3.16Hf0.03K0.49Mn0.24Na14.73Nb0.03O74.41Si25.65Sr0.19Ti0.11Y0.02Zr2.97
  • Wyckoff Sequence: 160,c10b30a12
  • Z Formula Units: 3
  • Density: ρ = 2.84 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_1633185

  • 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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