Inorganic Solid Phases

Na7(Fe3+,Mg,Cu)4(AsO4)6 (K0.22Na6.48Ca0.28Mg0.7Cu0.48Zn0.14Fe2.47Al0.23[AsO4]6) Crystal Structure

General Information

  • Phase Label(s): K0.22Na6.48Ca0.28Mg0.7Cu0.48Zn0.14Fe2.47Al0.23[AsO4]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): yurmarinite
  • Pearson Symbol: hR246
  • Space Group: 167
  • Phase Prototype: Na7Fe4[AsO4]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 1015 reflections; I > 2σ(I), R = 0.0230; wR = 0.0447
  • Sample Detail(s): yurmarinite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, electron microprobe analysis; (Na6.55Ca0.28K0.22)(Fe3+2.48Mg0.70Cu0.48Al0.23Zn0.14Ti0.01Mn0.01)(As5.94P0.02V0.01)O24, single crystal (determination of cell parameters), single crystal, 0.09×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.22Na6.48Ca0.28Mg0.7Cu0.48Zn0.14Fe2.47Al0.23[AsO4]6
  • Alphabetic Formula: Al0.23[AsO4]6Ca0.28Cu0.48Fe2.47K0.22Mg0.7Na6.48Zn0.14
  • Published Formula: Na7(Fe3+,Mg,Cu)4(AsO4)6
  • Refined Formula: Al0.23As6Ca0.27Cu0.72Fe2.13K0.21Mg0.71Na6.52O24Zn0.21
  • Wyckoff Sequence: 167,f6eba
  • Z Formula Units: 6
  • Density: ρ = 4.00 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]

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_1235365

  • 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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