Inorganic Solid Phases

MgMn2+4(Fe2+0.5Al3+0.5)4Zn4(PO4)8(OH)4(H2O)20 (MgZn4Mn4Fe2Al2[PO4]8[OH]4[H2O]20, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): MgZn4Mn4Fe2Al2[PO4]8[OH]4[H2O]20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferraioloite
  • Pearson Symbol: mS154
  • Space Group: 12
  • Phase Prototype: MgZn4Mn4(Fe0.5Al0.5)4[PO4]8[OH]4[H2O]20
  • 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): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 98 variables; 565 reflections; I > 3σ(I), R = 0.065; wR = 0.071
  • Sample Detail(s): ferraioloite sample from U.S.A. North Carolina, Cleveland County, Kings Mountain, Foote mine, energy-dispersive X-ray analysis; Ca0.21Mg0.50Mn2+4.16Fe2+2.05Al3+2.01Zn4.27P8.00H43.59O56, single crystal (determination of cell parameters), single crystal, 0.002×0.010×0.020 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: MgZn4Mn4Fe2Al2[PO4]8[OH]4[H2O]20
  • Alphabetic Formula: Al2Fe2[H2O]20MgMn4[OH]4[PO4]8Zn4
  • Published Formula: MgMn2+4(Fe2+0.5Al3+0.5)4Zn4(PO4)8(OH)4(H2O)20
  • Refined Formula: Al1.72Fe2.28H44MgMn4O56P8Zn4
  • Wyckoff Sequence: 12,j8i19hfea
  • Z Formula Units: 2
  • Density: ρ = 2.55 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_1242260

  • 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