Inorganic Solid Phases

Ca18Zr9[Si3O9]6[Si9O27]6Si2.33Mn0.67Nb1.74Si1.26Fe3.78Fe2.55Ti0.15Zr0.15Hf0.15Ca9Na32Ca0.45R0.24(O,OH)12.45Cl0.639.15H2O (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; Enraf-Nonius (determination of structural parameters), X-rays, Mo 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; 2525 reflections; F > 4σ(F), R = 0.057
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Kovdor massif, electron microprobe analysis; composition detected as Na10.85Ca9.15REE0.08Fe2.00Mn0.25Ti0.05Zr3.05Hf0.04Nb0.62Si25.61O75.89Cl0.21, single crystal, 0.3×0.5×0.6 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na10.8Ca9Zr3Nb0.6Mn0.2Fe2.2Si25.2Cl0.2O73[OH]3.2[H2O]3.1
  • Alphabetic Formula: Ca9Cl0.2Fe2.2[H2O]3.1Mn0.2Na10.8Nb0.6O73[OH]3.2Si25.2Zr3
  • Published Formula: Ca18Zr9[Si3O9]6[Si9O27]6Si2.33Mn0.67Nb1.74Si1.26Fe3.78Fe2.55Ti0.15Zr0.15Hf0.15Ca9Na32Ca0.45R0.24(O,OH)12.45Cl0.639.15H2O
  • Refined Formula: Ca9.15Ce0.08Cl0.21Fe2.10H11.99Hf0.05Mn0.22Na10.57Nb0.58O79.20Si25.20Ti0.05Zr3.05
  • Wyckoff Sequence: 160,c9b29a10
  • Z Formula Units: 3
  • Density: ρ = 2.88 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_1710600

  • 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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