Inorganic Solid Phases

Na2Mn5Fe3+Al(PO4)6 (Na2Ca0.2Mg0.1Zn0.1Mn4.6Fe0.7Al1.3[PO4]6) Crystal Structure

General Information

  • Phase Label(s): Na2Ca0.2Mg0.1Zn0.1Mn4.6Fe0.7Al1.3[PO4]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bobfergusonite
  • Pearson Symbol: mP160
  • Space Group: 14
  • Phase Prototype: Na2Ca0.2Mg0.1Zn0.1Mn4.6Fe0.7Al1.3[PO4]6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 372 variables; 2889 reflections; I > 3σ(I), R = 0.038; wR = 0.034
  • Sample Detail(s): bobfergusonite sample from Canada, Manitoba, Cross Lake, electron microprobe analysis; Na2.06Mn4.21Fe2+0.04Fe3+0.79Al1.39Ca0.19Mg0.09Zn0.05P6O23.75[OH]0.25, single crystal (determination of cell parameters), single crystal, 0.18×0.29×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ca0.2Mg0.1Zn0.1Mn4.6Fe0.7Al1.3[PO4]6
  • Alphabetic Formula: Al1.3Ca0.2Fe0.7Mg0.1Mn4.6Na2[PO4]6Zn0.1
  • Published Formula: Na2Mn5Fe3+Al(PO4)6
  • Refined Formula: Al1.38Ca0.19Fe0.84Mg0.09Mn4.28Na2O24P6Zn0.05
  • Wyckoff Sequence: 14,e39da
  • Z Formula Units: 4
  • Density: ρ = 3.65 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_1617873

  • 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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