Inorganic Solid Phases

Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 (Na12Sr3Ca6Zr3NbFe3Si25Cl2O75.3[OH]0.4[H2O]0.3) Crystal Structure

General Information

  • Phase Label(s): Na12Sr3Ca6Zr3NbFe3Si25Cl2O75.3[OH]0.4[H2O]0.3
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): taseqite
  • Pearson Symbol: hR420
  • Space Group: 160
  • Phase Prototype: Na12Sr3Ca6Zr3NbFe3Si25Cl2O75.3[OH]0.4[H2O]0.3
  • Measurement Detail(s): automatic diffractometer; 7174 (determination of cell parameters), automatic diffractometer; Siemens (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, full-matrix least-squares refinement on F2; 271 variables; 1944 reflections; I > 2σ(I), R = 0.037; wR = 0.085
  • Sample Detail(s): taseqite sample from Greenland, Ilimaussaq complex, Narssaq Kommune, electron microprobe analysis; Na8.81Sr4.78K0.17Ce0.02Ca5.17Mn1.51Y0.09Fe1.93Zr2.84Nb1.17Hf0.05Ta0.04Sn0.03Si24.55Cl1.91O74.65[OH]0.84[H2O]0.74, single crystal (determination of cell parameters), single crystal, 0.08×0.20×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12Sr3Ca6Zr3NbFe3Si25Cl2O75.3[OH]0.4[H2O]0.3
  • Alphabetic Formula: Ca6Cl2Fe3[H2O]0.3Na12NbO75.3[OH]0.4Si25Sr3Zr3
  • Published Formula: Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
  • Refined Formula: Ca5.29Cl1.74Fe1.93Mn1.50Na10.82Nb1.27O76.40Si24.45Sr3.87Zr2.96
  • Wyckoff Sequence: 160,c9b26a8
  • Z Formula Units: 3
  • Density: ρ = 3.10 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121545

  • 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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