Inorganic Solid Phases

(NH4)0.33Al0.89[HPO4][H2PO4](H2O)·H2O (H9[NH4]3Al2.67[PO4]6[H2O]6) Crystal Structure

General Information

  • Phase Label(s): H9[NH4]3Al2.67[PO4]6[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP80
  • Space Group: 159
  • Phase Prototype: H8[NH4]Fe3[PO4]6[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; I > 2σ(I), R = 0.0598; wR = 0.0533
  • Sample Detail(s): sample prepared from [NH4]2O, P2O5, Al2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H9[NH4]3Al2.67[PO4]6[H2O]6
  • Alphabetic Formula: Al2.67H9[H2O]6[NH4]3[PO4]6
  • Published Formula: (NH4)0.33Al0.89[HPO4][H2PO4](H2O)·H2O
  • Refined Formula: Al2.68H15NO30P6
  • Wyckoff Sequence: 159,c12b3a
  • Z Formula Units: 2
  • Density: ρ = 2.39 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1000115

  • 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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