Inorganic Solid Phases

Fe4.32Mn0.62Zn0.06[PO4]3[OH]5 (Zn0.06Mn0.62Fe4.32[PO4]3[OH]5) Crystal Structure

General Information

  • Phase Label(s): Zn0.06Mn0.62Fe4.32[PO4]3[OH]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rockbridgeite
  • Pearson Symbol: oS112
  • Space Group: 63
  • Phase Prototype: Fe5[PO4]3[OH]5
  • Measurement Detail(s): automatic diffractometer; 9128 (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), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 85 variables; 767 reflections; I > 2σ(I), R = 0.039
  • Sample Detail(s): rockbridgeite sample from Germany, Bavaria, Hagendorf, electron microprobe analysis; 47.9(3) wt.% FeO, 6.49(13) wt.% MnO, 32.48(15) wt.% P2O5, 0.70(14) wt.% ZnO, 0.46(9) wt.% CaO, 0.28(11) wt.% Na2O, single crystal (determination of cell parameters), single crystal, 0.04×0.06×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn0.06Mn0.62Fe4.32[PO4]3[OH]5
  • Alphabetic Formula: Fe4.32Mn0.62[OH]5[PO4]3Zn0.06
  • Published Formula: Fe4.32Mn0.62Zn0.06[PO4]3[OH]5
  • Refined Formula: Fe4.32H5Mn0.62O17P3Zn0.06
  • Wyckoff Sequence: 63,h2g2f7ca
  • Z Formula Units: 4
  • Density: ρ = 3.53 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1910368

  • 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