Inorganic Solid Phases

[(Na1.9K0.6Mn0.3Ba0.1Ce0.1)(Na2.7Sr0.3)]Na8(Ca5.28Mn0.72)(Zr2.85Hf0.15)[Fe1.35Ta0.51][Si0.78Nb0.13W0.09][Si0.5Al0.3Ti0.2]Si24O72(OH,O)3.54Cl0.8·1.2H2O (Na13.9Ca5.3Zr3.4Ta0.8Mn1.3Fe1.3Si25.3ClO72[OH]3.5[H2O]1.2) Crystal Structure

General Information

  • Phase Label(s): Na13.9Ca5.3Zr3.4Ta0.8Mn1.3Fe1.3Si25.3ClO72[OH]3.5[H2O]1.2
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR462
  • Space Group: 160
  • Phase Prototype: Na14Ca5.3Zr3Ta0.5Mn0.7Fe1.3Si26Cl0.8O72[OH]2.3[H2O]2.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 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; I > 2σ(I), R = 0.038
  • Sample Detail(s): eudialyte sample from Brazil, Minas Gerais, Pocos de Caldas, chemical analysis; (Na11.9K0.7Sr0.3Ba0.1REE0.1)(Ca5.3Mn0.7)(Fe1.3Mn0.6Zr0.6)(Zr2.7Ti0.2Hf0.1)(Ta0.8W0.15Nb0.05)(Si24.7Al0.3)Cl(O,OH,OH2)x, single crystal (determination of cell parameters), single crystal, 0.08×0.15×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na13.9Ca5.3Zr3.4Ta0.8Mn1.3Fe1.3Si25.3ClO72[OH]3.5[H2O]1.2
  • Alphabetic Formula: Ca5.3ClFe1.3[H2O]1.2Mn1.3Na13.9O72[OH]3.5Si25.3Ta0.8Zr3.4
  • Published Formula: [(Na1.9K0.6Mn0.3Ba0.1Ce0.1)(Na2.7Sr0.3)]Na8(Ca5.28Mn0.72)(Zr2.85Hf0.15)[Fe1.35Ta0.51][Si0.78Nb0.13W0.09][Si0.5Al0.3Ti0.2]Si24O72(OH,O)3.54Cl0.8·1.2H2O
  • Refined Formula: Al0.30Ca5.28Cl0.80Fe1.35H6.70K0.60Mn1.02Na12.78O77.10Si25.28Sr0.30Ta0.51Ti0.20W0.22Zr3
  • Wyckoff Sequence: 160,c9b29a13
  • Z Formula Units: 3
  • Density: ρ = 2.92 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_1122330

  • 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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