Inorganic Solid Phases

2Al2F6(H2O) (Rb0.01Na0.13Mg0.14Al1.86[OH]2.54F3.46[H2O]) Crystal Structure

General Information

  • Phase Label(s): Rb0.01Na0.13Mg0.14Al1.86[OH]2.54F3.46[H2O]
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): hydrokenoralstonite
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (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, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 106 reflections; F > 4σ(F), R = 0.016; wR = 0.050
  • Sample Detail(s): hydrokenoralstonite sample from Brazil, Amazonas, Presidente Figueiredo, Pitinga mine, electron microprobe analysis; (1.87Na0.12Rb0.01)(Al1.86Mg0.14)(F3.46[OH]2.54)[H2O], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.01Na0.13Mg0.14Al1.86[OH]2.54F3.46[H2O]
  • Alphabetic Formula: Al1.86F3.46[H2O]Mg0.14Na0.13[OH]2.54Rb0.01
  • Published Formula: 2Al2F6(H2O)
  • Refined Formula: Al1.86F3.44H4.56Mg0.14Na0.13O3.56
  • 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
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_1243790

  • 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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