Inorganic Solid Phases

[Na,H3O,Ca,K]15Ca6[☐,Mn,Fe]3[Zr1.5Nb1.3][Si24O68(O,OH)4][Ti2](OH)5Cl·4H2O (K1.4Na5[H3O]3.63Ca8.87Zr1.5Ti2.95Nb1.5Si24ClO70[OH]7.7[H2O]3.9) Crystal Structure

General Information

  • Phase Label(s): K1.4Na5[H3O]3.63Ca8.87Zr1.5Ti2.95Nb1.5Si24ClO70[OH]7.7[H2O]3.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR597
  • Space Group: 166
  • Phase Prototype: K1.4Na5[H3O]3.63Ca8.87Zr1.5Ti2.95Nb1.5Si24ClO70[OH]7.7[H2O]3.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (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; 245 variables; 667 reflections; F > 4σ(F), R = 0.066
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Kovdor massif, electron microprobe analysis; Na5K1.3−1.5Sr0.2−0.8Ba0.2−0.3(Ce,La)0.2−0.44Ca7.4−7.7Mn0.9−1.1Fe0.3−0.4Zr1.3−1.5Ti1.3−1.6Nb0.8−1.5Si24.4Cl0.4−0.6[SO4]0.15−0.24[PO4]0−0.4, single crystal (determination of cell parameters), single crystal, 0.07×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.4Na5[H3O]3.63Ca8.87Zr1.5Ti2.95Nb1.5Si24ClO70[OH]7.7[H2O]3.9
  • Alphabetic Formula: Ca8.87Cl[H2O]3.9[H3O]3.63K1.4Na5Nb1.5O70[OH]7.7Si24Ti2.95Zr1.5
  • Published Formula: [Na,H3O,Ca,K]15Ca6[☐,Mn,Fe]3[Zr1.5Nb1.3][Si24O68(O,OH)4][Ti2](OH)5Cl·4H2O
  • Refined Formula: Ba0.30Ca7.41Ce0.13Cl0.50Fe0.45H25.82K1.41La0.13Mn0.90Na5.02Nb1.50O86.71P0.25S0.25Si24.40Sr0.90Ti1.60Zr1.50
  • Wyckoff Sequence: 166,i4h20gedc9b
  • Z Formula Units: 3
  • Density: ρ = 2.87 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_1931457

  • 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