Inorganic Solid Phases

Al3+ doped [Rb0.24(H2O)0.76]VO(H2O)(PO4) (Rb0.24V0.97Al0.03[PO4]O[H2O]1.76) Crystal Structure

General Information

  • Phase Label(s): Rb0.24V0.97Al0.03[PO4]O[H2O]1.76
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP22
  • Space Group: 11
  • Phase Prototype: (Rb0.12[H2O]0.88)2V0.97Al0.03[PO4]O
  • 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 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 60 variables; 622 reflections; I > 1.96σ(I), R = 0.0553; wR = 0.0882
  • Sample Detail(s): sample prepared from V2O5, Rb2CO3, AlPO4, energy-dispersive X-ray analysis; 45.93 wt.% O, 0.24 wt.% Al, 14.07 wt.% P, 0.13 wt.% K, 23.17 wt.% V, 10.85 wt.% Rb, single crystal (determination of cell parameters), single crystal, 0.04×0.10×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb0.24V0.97Al0.03[PO4]O[H2O]1.76
  • Alphabetic Formula: Al0.03[H2O]1.76O[PO4]Rb0.24V0.97
  • Published Formula: Al3+ doped [Rb0.24(H2O)0.76]VO(H2O)(PO4)
  • Refined Formula: Al0.03H3.52O6.76PRb0.24V0.97
  • Wyckoff Sequence: 11,f2e7
  • Z Formula Units: 2
  • Density: ρ = 2.76 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1942182

  • 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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