Inorganic Solid Phases

Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4·6H2O, Ca[Mn2+0.35][(Fe2+,Fe3+)1.6Mg0.2Al0.2]Be2(PO4)3(OH)2·3H2O (Ca2Mg0.17Be4Mn2.55Fe1.75Al0.46[PO4]6[OH]4[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.17Be4Mn2.55Fe1.75Al0.46[PO4]6[OH]4[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): greifensteinite/roscherite 1M
  • 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; Syntex P21 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 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; 947 reflections; F > 3σ(F), R = 0.047
  • Sample Detail(s): greifensteinite sample from Germany, Saxony, chemical analysis; Ca0.99Be2.05Fe2+1.73Mn2+0.44Al0.11Mg0.05[PO4]3[OH]1.86[H2O]3.26, single crystal (determination of cell parameters), single crystal, 0.1×0.20×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.2Be2Mn0.35Fe1.6Al0.2[PO4]3[OH]2[H2O]3
  • Alphabetic Formula: Al0.2Be2CaFe1.6[H2O]3Mg0.2Mn0.35[OH]2[PO4]3
  • Published Formula: Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4·6H2O, Ca[Mn2+0.35][(Fe2+,Fe3+)1.6Mg0.2Al0.2]Be2(PO4)3(OH)2·3H2O
  • Refined Formula: Al0.40Be4Ca2Fe3.20H16Mg0.40Mn0.70O34P6
  • Wyckoff Sequence: 15,f11e3a
  • Z Formula Units: 4
  • Density: ρ = 2.90 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_1213967

  • 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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