Inorganic Solid Phases

Zr3(Ca2.7MnFeNa0.85Ce0.33Sr0.12)[Si3O9]2[Si9O72]2[Si0.5Al0.5][Si0.5(Ti0.3Nb0.2)][(Zr1.2Fe0.3)Na0.87(OH)1.5](Na15.87… (Na17.9Ca3.2Zr4.2MnFe1.3Al0.5Si25Cl0.5O72.5[OH]3) Crystal Structure

General Information

  • Phase Label(s): Na17.9Ca3.2Zr4.2MnFe1.3Al0.5Si25Cl0.5O72.5[OH]3
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR468
  • Space Group: 160
  • Phase Prototype: Na16Ca3.2Zr4.2Mn1.3Fe1.5Al0.5Si25Cl0.5O72[OH]3.3[H2O]1.7
  • Measurement Detail(s): automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2347 reflections; F > 4σ(F), R = 0.045
  • Sample Detail(s): eudialyte sample from, K0.3Na17.59Sr0.45Ca2.7Zr4.2Ce0.33MnFe1.3Al0.5Si24Cl0.5O72.75[OH]3.25, single crystal, 0.14×0.25×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na17.9Ca3.2Zr4.2MnFe1.3Al0.5Si25Cl0.5O72.5[OH]3
  • Alphabetic Formula: Al0.5Ca3.2Cl0.5Fe1.3MnNa17.9O72.5[OH]3Si25Zr4.2
  • Published Formula: Zr3(Ca2.7MnFeNa0.85Ce0.33Sr0.12)[Si3O9]2[Si9O72]2[Si0.5Al0.5][Si0.5(Ti0.3Nb0.2)][(Zr1.2Fe0.3)Na0.87(OH)1.5](Na15.87
  • Refined Formula: Al0.52Ca3Cl0.53Fe1.50H3.67K0.24Mn1.20Na14.86Nb0.20O77.46Si24.96Sr0.11Ti0.30Zr4.20
  • Wyckoff Sequence: 160,c9b30a12
  • Z Formula Units: 3
  • Density: ρ = 2.82 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_1908619

  • 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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