Inorganic Solid Phases

KAl2(PO4)2(OD)·4D2O (KAl2[PO4]2[OD][D2O]4) Crystal Structure

General Information

  • Phase Label(s): KAl2[PO4]2[OD][D2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP36
  • Space Group: 32
  • Phase Prototype: KAl2[PO4]2F[H2O]4
  • Measurement Detail(s): automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E2 (determination of structural parameters), neutrons; λ = 0.24171 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, orthophosphate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 26 variables; 67 reflections, wRP = 0.087; RB = 0.048
  • Sample Detail(s): sample prepared from K3PO4, Al[OD]3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: KAl2[PO4]2[OD][D2O]4
  • Alphabetic Formula: Al2[D2O]4K[OD][PO4]2
  • Published Formula: KAl2(PO4)2(OD)·4D2O
  • Refined Formula: Al2D9KO13P2
  • Wyckoff Sequence: 32,c8ba
  • Z Formula Units: 2
  • Density: ρ = 2.50 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_1709856

  • 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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