Inorganic Solid Phases

Nax[MgxAl2−xF6−y(OH)y]·zH2O, x= 0.3-0.5, y= 1.1-2.3, z= 0.8-0.9 (Na0.35Mg0.35Al1.65[OH]2.1F3.9[H2O]0.88) Crystal Structure

General Information

  • Phase Label(s): Na0.35Mg0.35Al1.65[OH]2.1F3.9[H2O]0.88
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): ralstonite
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): Weissenberg photographs (determination of cell parameters), automatic diffractometer; STOE STADI 2 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 77 reflections; F > 6σ(F), R = 0.034; wR = 0.037
  • Sample Detail(s): ralstonite sample from Greenland, Ivittuut, sample prepared from ralstonite, chemical analysis, electron microprobe analysis; Al12.11Ca0.01Cl0.02F32.08H27.62K0.01Li0.11Mg3.38Na3.44O21.24; amounts of NaCaAlF6[H2O], single crystal (determination of cell parameters), single crystal, 0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.41Mg0.45Al1.55[OH]1.42F4.58[H2O]0.835
  • Alphabetic Formula: Al1.55F4.58[H2O]0.835Mg0.45Na0.41[OH]1.42
  • Published Formula: Nax[MgxAl2−xF6−y(OH)y]·zH2O, x= 0.3-0.5, y= 1.1-2.3, z= 0.8-0.9
  • Refined Formula: Al1.55F4.58H3.09Mg0.45Na0.41O2.26
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 2.57 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1714372

  • 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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