Inorganic Solid Phases

Ca2[Mg0.65Fe0.351.0][Mg1.90Fe1.25Al0.5Mn0.35]Be4(PO4)6(OH)4(H2O,OH)2·4H2O (CaMg1.275Be2Mn0.175Fe0.8Al0.25[PO4]3[OH]2.5[H2O]2.5) Crystal Structure

General Information

  • Phase Label(s): CaMg1.275Be2Mn0.175Fe0.8Al0.25[PO4]3[OH]2.5[H2O]2.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zanazziite
  • Pearson Symbol: mS104
  • Space Group: 15
  • Phase Prototype: Ca(Mg0.05Zn0.18Fe0.59Al0.07Mn0.12)2Be2Mn0.34[PO4]3[OH]2[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; F > 3σ(F), R = 0.0368
  • Sample Detail(s): zanazziite sample from Brazil, Minas Gerais, Sapucaia, electron microprobe analysis; (Ca1.98Sr0.02)Be4(Mg2.58Fe1.57Al0.40Mn0.22)[PO4]3[H2O,O,OH]10, single crystal (determination of cell parameters), single crystal, 0.05×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg1.275Be2Mn0.175Fe0.8Al0.25[PO4]3[OH]2.5[H2O]2.5
  • Alphabetic Formula: Al0.25Be2CaFe0.8[H2O]2.5Mg1.275Mn0.175[OH]2.5[PO4]3
  • Published Formula: Ca2[Mg0.65Fe0.351.0][Mg1.90Fe1.25Al0.5Mn0.35]Be4(PO4)6(OH)4(H2O,OH)2·4H2O
  • Refined Formula: Al0.25Be2CaFe0.80H7.50Mg1.27Mn0.18O17P3
  • Wyckoff Sequence: 15,f11e3a
  • Z Formula Units: 4
  • Density: ρ = 2.80 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1629131

  • 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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