Inorganic Solid Phases

(Fe2+,Fe3+,Mn,Mg)3Zr3(Zr,Nb)x(Ca,R.E.)6Na12[Si9O27−y(OH)y]2[Si3O9]2Clz (Na12Ca6Zr3.35Nb0.25Fe3Si24ClO68.4[OH]3.6) Crystal Structure

General Information

  • Phase Label(s): Na12Ca6Zr3.35Nb0.25Fe3Si24ClO68.4[OH]3.6
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR372
  • Space Group: 166
  • Phase Prototype: Na12Ca6Zr3(Zr0.6Nb0.4)0.6Fe3Si24ClO68.4[OH]3.6
  • Measurement Detail(s): Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 831 reflections, R = 0.075
  • Sample Detail(s): eudialyte sample from Greenland, Naujakasik, chemical analysis; 49.1 wt.% SiO2, 6.4 wt.% FeO, 0.5 wt.% Fe2O3, 0.4 wt.% MnO, 14.0 wt.% ZrO2, 1.1 wt.% Nb2O5, 0.7 wt.% Ce2O3, 0.3 wt.% Y2O3, 0.3 wt.% La2O3, 11.0 wt.% CaO, 13.6 wt.% Na2O, 0.5 wt.% K2O, 1.1 wt.% H2O+, 1.2 wt.% Cl, single crystal, 0.25 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12Ca6Zr3.35Nb0.25Fe3Si24ClO68.4[OH]3.6
  • Alphabetic Formula: Ca6ClFe3Na12Nb0.25O68.4[OH]3.6Si24Zr3.35
  • Published Formula: (Fe2+,Fe3+,Mn,Mg)3Zr3(Zr,Nb)x(Ca,R.E.)6Na12[Si9O27−y(OH)y]2[Si3O9]2Clz
  • Refined Formula: Ca6Cl1.36Fe3Na12Nb0.30O72Si24Zr3.42
  • Wyckoff Sequence: 166,i4h10gedc2
  • Z Formula Units: 3
  • Density: ρ = 2.71 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906870

  • 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

    Citation copied