Inorganic Solid Phases

{(Ca,Sr,Mn)6Zr3·[Si3O7(O,OH)2]2[Si9O23(O,OH)4]2}{(SiNa)·[Fe1.2(Zr,Ti,Al,Nb)0.8][(H3O)7Na2.8K2.2]·[Cl1.5(O,OH)6]} (K2.2Na3.8[H3O]7Ca6Zr3.8Fe1.2Si25Cl1.5O64.3[OH]13.7) Crystal Structure

General Information

  • Phase Label(s): K2.2Na3.8[H3O]7Ca6Zr3.8Fe1.2Si25Cl1.5O64.3[OH]13.7
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR447
  • Space Group: 160
  • Phase Prototype: K2.2Na3.8[H3O]7Ca6Zr3.8Fe1.2Si25Cl1.5O64.3[OH]13.7
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 975 reflections, R = 0.057
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Khibiny massif, chemical analysis; Ca16.73Sr0.79Na10.04K6.70Zr10.21Ti0.74Nb0.16RE0.14Al0.40Fe3.20Mn0.40Si75.66OxCl4.83[H2O]66.72, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2.2Na3.8[H3O]7Ca6Zr3.8Fe1.2Si25Cl1.5O64.3[OH]13.7
  • Alphabetic Formula: Ca6Cl1.5Fe1.2[H3O]7K2.2Na3.8O64.3[OH]13.7Si25Zr3.8
  • Published Formula: {(Ca,Sr,Mn)6Zr3·[Si3O7(O,OH)2]2[Si9O23(O,OH)4]2}{(SiNa)·[Fe1.2(Zr,Ti,Al,Nb)0.8][(H3O)7Na2.8K2.2]·[Cl1.5(O,OH)6]}
  • Refined Formula: Al0.16Ca5.58Cl1.47Fe1.23H21.78K2.22Mn0.12Na5.52Nb0.05O83.27Si25Sr0.30Ti0.24Zr3.39
  • Wyckoff Sequence: 160,c9b29a8
  • Z Formula Units: 3
  • Density: ρ = 2.80 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_1802215

  • 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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