Inorganic Solid Phases

{Ca6Zr3[Si3O9]2[Si10O27(OH)][Si9NbO27(O,OH)3]}{Fe3(Mn,Sr,REE)3Na12(O,OH,F)Cl·H2O} (Na12Ca6Zr3NbMn3Fe3Si25ClO75[OH]2[H2O]) Crystal Structure

General Information

  • Phase Label(s): Na12Ca6Zr3NbMn3Fe3Si25ClO75[OH]2[H2O]
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR468
  • Space Group: 160
  • Phase Prototype: Na12Ca6Zr3NbMn3Fe3Si25ClO75[OH]2[H2O]
  • Measurement Detail(s): automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1135 reflections; F > 3σ(F), R = 0.0365
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Khibiny massif, Mt. Petrelius, electron microprobe analysis; composition detected as Na11.73K0.24Ca6.30Sr0.71Ba0.03REE0.63Y0.13Fe2.55Mn1.19Ti0.05Zr3.23Hf0.04Nb0.92Ta0.01Si25.25O76.48Cl1.11F0.61·1.4H2O, single crystal, 0.15×0.25×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12Ca6Zr3NbMn3Fe3Si25ClO75[OH]2[H2O]
  • Alphabetic Formula: Ca6ClFe3[H2O]Mn3Na12NbO75[OH]2Si25Zr3
  • Published Formula: {Ca6Zr3[Si3O9]2[Si10O27(OH)][Si9NbO27(O,OH)3]}{Fe3(Mn,Sr,REE)3Na12(O,OH,F)Cl·H2O}
  • Refined Formula: Ca6.33Ce0.60Cl1.30Fe2.55H6.29K0.25Mn1.20Na12Nb0.80O77.49Si25.20Sr0.75Ti0.05Zr3.27
  • Wyckoff Sequence: 160,c10b30a6
  • Z Formula Units: 3
  • Density: ρ = 3.03 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_1710601

  • 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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