Inorganic Solid Phases

Al3(PO4)(SO4)2(OH)2(H2O)10·4H2O (Al3[PO4][SO4]2[OH]2[H2O]14) Crystal Structure

General Information

  • Phase Label(s): Al3[PO4][SO4]2[OH]2[H2O]14
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rossiantonite
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: Al3[PO4][SO4]2[OH]2[H2O]14
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 438 variables; 2684 reflections; I > 2σ(I), R = 0.0292; wR = 0.0643
  • Sample Detail(s): rossiantonite sample from Venezuela, Chimanta massif, Akopan-Dal Cin, electron microprobe analysis; Al2.96Fe0.03P1.01S2H30.02O28, single crystal (determination of cell parameters), single crystal, 0.03×0.07×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Al3[PO4][SO4]2[OH]2[H2O]14
  • Alphabetic Formula: Al3[H2O]14[OH]2[PO4][SO4]2
  • Published Formula: Al3(PO4)(SO4)2(OH)2(H2O)10·4H2O
  • Refined Formula: Al3H30O28PS2
  • Wyckoff Sequence: 2,i34
  • Z Formula Units: 2
  • Density: ρ = 1.96 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
2θ [°]
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_1231391

  • 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

    Citation copied