Inorganic Solid Phases

Ca2Mn2+☐Mn2+2Mn2+2Be4(PO4)6(OH)4·6H2O; (Ca1.89Sr0.03Ba0.02)(Mn2+0.900.10)(☐0.78Li0.17Mg0.05)(Mn2+3.25Fe2+0.43Fe3+0.09Al0.03)Be4.30(P5.81Si0.08O24)[(OH)3.64(H2O)0.36]·6.00H2O (Li0.17Ca1.9Be4.3Mn4.15Fe0.52[PO4]6[OH]4[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Li0.17Ca1.9Be4.3Mn4.15Fe0.52[PO4]6[OH]4[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): footemineite
  • Pearson Symbol: aP52
  • Space Group: 2
  • Phase Prototype: Ca2Mg2.2Be4Mn0.2Fe2.5Al0.1[PO4]6[OH]4[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1273 reflections; F > 2σ(F), R = 0.0347
  • Sample Detail(s): footemineite sample from U.S.A. North Carolina, Cleavland County, King's Mountain, Foote mine, electron microprobe analysis, Mössbauer spectroscopy, thermogravimetry; (Ca1.89Sr0.03Ba0.02)(Mn2+0.900.10)(☐0.78Li0.17Mg0.05)(Mn2+3.25Fe2+0.43Fe3+0.09Al0.03)Be4.30(P5.81Si0.08O24)([OH]3.64[H2O]0.36)[H2O]6, single crystal (determination of cell parameters), single crystal, 0.10×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.17Ca1.9Be4.3Mn4.15Fe0.52[PO4]6[OH]4[H2O]6
  • Alphabetic Formula: Be4.3Ca1.9Fe0.52[H2O]6Li0.17Mn4.15[OH]4[PO4]6
  • Published Formula: Ca2Mn2+☐Mn2+2Mn2+2Be4(PO4)6(OH)4·6H2O; (Ca1.89Sr0.03Ba0.02)(Mn2+0.900.10)(☐0.78Li0.17Mg0.05)(Mn2+3.25Fe2+0.43Fe3+0.09Al0.03)Be4.30(P5.81Si0.08O24)[(OH)3.64(H2O)0.36]·6.00H2O
  • Refined Formula: Be4Ca2Fe0.52H16Li0.17Mg0.05Mn4.14O34P6
  • Wyckoff Sequence: 2,i25fb
  • Z Formula Units: 1
  • Density: ρ = 2.86 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221695

  • 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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