Inorganic Solid Phases

[Na12.15(H3O)2.1Sr0.45K0.3][(Fe1.3Mn1.0Na0.7)(Ca2.7REE0.3)]Zr3[Si24O72][Zr0.66Zr0.54Na0.9Na0.45][Al0.5Si0.5][Si0.5Ti0.3Nb0.2]OH2.5(OH,O)1.5Cl0.55(H2O)0.45·0.65H2O (Na14.5[H3O]2.1Sr0.5Ca2.9Zr4Mn1.3Fe1.7Si26Cl0.5O72.9[OH]3.1[H2O]1.1) Crystal Structure

General Information

  • Phase Label(s): Na14.5[H3O]2.1Sr0.5Ca2.9Zr4Mn1.3Fe1.7Si26Cl0.5O72.9[OH]3.1[H2O]1.1
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR540
  • Space Group: 146
  • Phase Prototype: Na14.5[H3O]2.1Sr0.5Ca2.9Zr4Mn1.3Fe1.7Si26Cl0.5O72.9[OH]3.1[H2O]1.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (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; 3124 reflections; F > 3σ(F), R = 0.035
  • Sample Detail(s): eudialyte sample from, energy-dispersive X-ray analysis; Na13−15K0.2−0.4Sr0.4−0.6REE0.2−0.5Ca2.6−2.9Zr3.9−4.2Fe1.0−1.5Mn0.8−1.2Ti0.2−0.4Nb0.3Si25Al0.3−0.5Cl0.2−0.7[O,OH]75, single crystal (determination of cell parameters), single crystal, 0.14×0.25×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14.5[H3O]2.1Sr0.5Ca2.9Zr4Mn1.3Fe1.7Si26Cl0.5O72.9[OH]3.1[H2O]1.1
  • Alphabetic Formula: Ca2.9Cl0.5Fe1.7[H2O]1.1[H3O]2.1Mn1.3Na14.5O72.9[OH]3.1Si26Sr0.5Zr4
  • Published Formula: [Na12.15(H3O)2.1Sr0.45K0.3][(Fe1.3Mn1.0Na0.7)(Ca2.7REE0.3)]Zr3[Si24O72][Zr0.66Zr0.54Na0.9Na0.45][Al0.5Si0.5][Si0.5Ti0.3Nb0.2]OH2.5(OH,O)1.5Cl0.55(H2O)0.45·0.65H2O
  • Refined Formula: Al0.50Ca3Cl0.55Fe1.32H11K0.29Mn0.99Na14.20Nb0.20O79.20Si24.87Sr0.45Ti0.30Zr4.20
  • Wyckoff Sequence: 146,b56a12
  • Z Formula Units: 3
  • Density: ρ = 2.88 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_1140991

  • 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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