Inorganic Solid Phases

[Al6(AsO4)3(OH)9(H2O)5]·8H2O (Al6[AsO4]3[OH]9[H2O]13 pen, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Al6[AsO4]3[OH]9[H2O]13 pen
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): penberthycroftite
  • Pearson Symbol: mP196
  • Space Group: 14
  • Phase Prototype: Al6[AsO4]3[OH]9[H2O]13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron, 3-ID-1, MX2 (determination of structural parameters), X-rays, synchrotron; λ = 0.07100 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F; 190 variables; 1639 reflections; I > 3σ(I), R = 0.068; wR = 0.059
  • Sample Detail(s): penberthycroftite sample from United Kingdom, England, Cornwall, St. Hilary, Penberthy Croft mine, electron microprobe analysis; (Al5.96Fe0.04(As0.97Al0.03O4)3[SO4]0.26[OH]8.30[H2O]5.44)[H2O]7.8, single crystal (determination of cell parameters), single crystal, 0.001×0.01×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Al6[AsO4]3[OH]9[H2O]13
  • Alphabetic Formula: Al6[AsO4]3[H2O]13[OH]9
  • Published Formula: [Al6(AsO4)3(OH)9(H2O)5]·8H2O
  • Refined Formula: Al6As3H32.11O33.27S0.30
  • Wyckoff Sequence: 14,e49
  • Z Formula Units: 4
  • Density: ρ = 2.14 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]

Powder Pattern

published defraction line
d [Å]
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_1242177

  • 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