Inorganic Solid Phases

(NH4)1.67Zn1.67Al2.33P4O16 ([NH4]0.83Zn0.83Al1.17[PO4]2) Crystal Structure

General Information

  • Phase Label(s): [NH4]0.83Zn0.83Al1.17[PO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS104
  • Space Group: 15
  • Phase Prototype: SrGa2[SiO4]2
  • Measurement Detail(s): automatic diffractometer; 3775 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 131 variables; 1660 reflections; I > 2σ(I), R = 0.0527; wR = 0.1135
  • Sample Detail(s): sample prepared from H3PO4, Zn(CH3COO)2, pseudoboehmite, 1,3-propane diamine, inductive coupled plasma method; Al/Zn/P ratio 2.15/1.61/4; 9.59 wt.% Al, 17.38 wt.% Zn, 20.49 wt.% P, single crystal (determination of cell parameters), single crystal, 0.10×0.14×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]0.83Zn0.83Al1.17[PO4]2
  • Alphabetic Formula: Al1.17[NH4]0.83[PO4]2Zn0.83
  • Published Formula: (NH4)1.67Zn1.67Al2.33P4O16
  • Refined Formula: Al1.17H3.32N0.83O8P2Zn0.83
  • Wyckoff Sequence: 15,f13
  • Z Formula Units: 8
  • 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
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_1620986

  • 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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