Inorganic Solid Phases

(Na16☐)Mn2+25Al8(PO4)30; Na15.55Ca1.47Mg0.88Fe2+4.19Mn2+18.78Zn0.32Al6.54Fe3+1.05P30.08O120 (Na13.9Ca1.37Mg0.97Zn0.31Mn18.9Fe5.21Al6.58P0.15[PO4]30) Crystal Structure

General Information

  • Phase Label(s): Na13.9Ca1.37Mg0.97Zn0.31Mn18.9Fe5.21Al6.58P0.15[PO4]30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): manitobaite
  • Pearson Symbol: mP400
  • Space Group: 7
  • Phase Prototype: Na15.55Ca1.47Mg0.88Zn0.32Mn18.78Fe5.24Al6.54P0.08[PO4]30
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 297 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 977 variables; 19964 reflections; F > 4σ(F), R = 0.0503; wR = 0.1407
  • Sample Detail(s): manitobaite sample from Canada, Manitoba, Cross Lake, electron microprobe analysis, Mössbauer spectroscopy; Na15.55Ca1.47Mg0.88Fe2+4.19Mn2+18.78Zn0.32Al6.54Fe3+1.05P30.08O120, twinned crystal (determination of cell parameters), twinned crystal, 0.060×0.100×0.120 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na15.55Ca1.47Mg0.88Zn0.32Mn18.78Fe5.24Al6.54P0.08[PO4]30
  • Alphabetic Formula: Al6.54Ca1.47Fe5.24Mg0.88Mn18.78Na15.55P0.08[PO4]30Zn0.32
  • Published Formula: (Na16☐)Mn2+25Al8(PO4)30; Na15.55Ca1.47Mg0.88Fe2+4.19Mn2+18.78Zn0.32Al6.54Fe3+1.05P30.08O120
  • Refined Formula: Al6.52Ca1.72Fe11.99Mg0.49Mn12.92Na15.13O120P30
  • Wyckoff Sequence: 7,a200
  • Z Formula Units: 2
  • Density: ρ = 3.63 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_1226839

  • 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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