Inorganic Solid Phases

Na12(K,Sr,Ce)3Ca6Mn3Zr3NbSi[Si3O9]2[Si9O27]2(O,OH)4(H2O,CO3,Cl)2 (K3Na12Ca6Zr3NbMn3Si25[CO3]0.5O73[OH]3[H2O]1.5) Crystal Structure

General Information

  • Phase Label(s): K3Na12Ca6Zr3NbMn3Si25[CO3]0.5O73[OH]3[H2O]1.5
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR441
  • Space Group: 160
  • Phase Prototype: K3Na12Ca6Zr3NbMn3Si25[CO3]0.5O73[OH]3[H2O]1.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; F > 3σ(F), R = 0.038
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Khibiny massif, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.20×0.25×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Na12Ca6Zr3NbMn3Si25[CO3]0.5O73[OH]3[H2O]1.5
  • Alphabetic Formula: [CO3]0.5Ca6[H2O]1.5K3Mn3Na12NbO73[OH]3Si25Zr3
  • Published Formula: Na12(K,Sr,Ce)3Ca6Mn3Zr3NbSi[Si3O9]2[Si9O27]2(O,OH)4(H2O,CO3,Cl)2
  • Refined Formula: Ba0.09C0.46Ca5.70Ce1.03Cl0.31Fe1.14H3.86Hf0.06K1.44Mn1.86Na11.69Nb0.78O78.21Si24.95Sr1.05Zr2.94
  • Wyckoff Sequence: 160,c9b28a9
  • Z Formula Units: 3
  • Density: ρ = 2.93 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_1521067

  • 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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