Inorganic Solid Phases

Zr3.63Ti3.37Ca8.5Mn2.13Si50.68Al0.42Fe0.94Na34.43Sr0.77Ce1.13O144Cl0.9(OH)5.7·1.5H2O (Na35Ca8.5Ce1.1Zr3.4Ti3.4Mn2.1Fe0.9Si51.1O144[OH]4.9[H2O]3.2) Crystal Structure

General Information

  • Phase Label(s): Na35Ca8.5Ce1.1Zr3.4Ti3.4Mn2.1Fe0.9Si51.1O144[OH]4.9[H2O]3.2
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR912
  • Space Group: 160
  • Phase Prototype: Na35Ca8.5Ce1.1Zr3.4Ti3.4Mn2.1Fe0.9Si51.1O144[OH]4.9[H2O]3.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius CAD4 (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, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F; 3402 reflections; F > 4σ(F), R = 0.068; wR = 0.095
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; 17 wt.% Na2O, 8 wt.% CaO, 2.6 wt.% MnO, 50 wt.% SiO2, 6 wt.% ZrO2, 5 wt.% TiO2 etc., single crystal (determination of cell parameters), single crystal, 0.15×0.23×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na35Ca8.5Ce1.1Zr3.4Ti3.4Mn2.1Fe0.9Si51.1O144[OH]4.9[H2O]3.2
  • Alphabetic Formula: Ca8.5Ce1.1Fe0.9[H2O]3.2Mn2.1Na35O144[OH]4.9Si51.1Ti3.4Zr3.4
  • Published Formula: Zr3.63Ti3.37Ca8.5Mn2.13Si50.68Al0.42Fe0.94Na34.43Sr0.77Ce1.13O144Cl0.9(OH)5.7·1.5H2O
  • Refined Formula: Ca8.52ClFe0.93H9.95Mn2.10Na36.50O152.38Si51.10Ti3.51Zr3.63
  • Wyckoff Sequence: 160,c20b54a22
  • Z Formula Units: 3
  • Density: ρ = 2.75 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_1616716

  • 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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