Inorganic Solid Phases

Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2 (Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9) Crystal Structure

General Information

  • Phase Label(s): Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): kentbrooksite
  • Pearson Symbol: hR450
  • Space Group: 160
  • Phase Prototype: Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9
  • Measurement Detail(s): automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 292 variables; 3827 reflections, R = 0.042; wR = 0.083
  • Sample Detail(s): eudialyte sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; 46.32 wt.% SiO2, 11.22 wt.% ZrO2, 2.49 wt.% Nb2O5, 4.69 wt.% rare-earth oxides, 1.53 wt.% La2O3, 2.49 wt.% Ce2O3, 0.62 wt.% Nd2O3, 0.59 wt.% Y2O3, 5.04 wt.% FeO, 3.98 wt.% MnO, 7.95 wt.% CaO, 13.92 wt.% Na2O, 1.1 wt.% Cl, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14Ca4.5CeZr3Nb0.7Mn2Fe2.5Si25O74[OH]2.5[H2O]1.5
  • Alphabetic Formula: Ca4.5CeFe2.5[H2O]1.5Mn2Na14Nb0.7O74[OH]2.5Si25Zr3
  • Published Formula: Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2
  • Refined Formula: Ca4.68Ce0.93Cl0.76Fe2.29H1.24K0.30Mn1.82Na13.02Nb0.62O76.24Si25.12Sr0.12Ta0.04Ti0.06Y0.18Zr3
  • Wyckoff Sequence: 160,c9b31a10
  • Z Formula Units: 3
  • Density: ρ = 3.02 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906895

  • 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)

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