Inorganic Solid Phases

Na29Ca12Zr6[Si48O132(O,OH)12]{[Na4][Si2]}{[Mn3][Mn,Nb,Ti]2}(OH,H2O,Cl)10 (Na33Ca12Zr6Ti0.5Nb0.5Mn4Si50Cl3O142.5[OH]4.5[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Na33Ca12Zr6Ti0.5Nb0.5Mn4Si50Cl3O142.5[OH]4.5[H2O]3
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR981
  • Space Group: 166
  • Phase Prototype: Na33Ca12Zr6Ti0.5Nb0.5Mn4Si50Cl3O138[OH]10[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (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, least-squares refinement; 1184 reflections; F > 3σ(F), R = 0.049
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; Na94−102.4K1.5−1.92Sr3.2−3.8Ba0.37Ce2.5−2.9Y0.93−1.20Al0.12−0.18Ca25.9−27.9Zr16.8−18.1Hf0.09−0.15Fe0.96−1.26Mn8.2−11.2Ti1.08−1.35Nb1.29−1.44Si152.9−154.8S1.0−1.5Cl3.8−4.9F0.37, single crystal (determination of cell parameters), single crystal, 0.02×0.02×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na33Ca12Zr6Ti0.5Nb0.5Mn4Si50Cl3O142.5[OH]4.5[H2O]3
  • Alphabetic Formula: Ca12Cl3[H2O]3Mn4Na33Nb0.5O142.5[OH]4.5Si50Ti0.5Zr6
  • Published Formula: Na29Ca12Zr6[Si48O132(O,OH)12]{[Na4][Si2]}{[Mn3][Mn,Nb,Ti]2}(OH,H2O,Cl)10
  • Refined Formula: Ba0.12Ca9.30Ce0.98Cl1.10Fe0.18H6.34Hf0.05K0.66Mn3.70Na31.90Nb0.54O151.96S0.44Si49.22Sr1.20Ti0.40Y0.42Zr6
  • Wyckoff Sequence: 166,i10h28gfdc12
  • Z Formula Units: 3
  • Density: ρ = 2.83 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_1213489

  • 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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