Inorganic Solid Phases

Ca2[(Mn,Fe)0.90.1][Li0.17Mg0.050.78][Mn2][Mn2]Be4(PO4)6[OH]4[H2O]6 (Li0.17Ca2Mg0.05Be4Mn4.9[PO4]6[OH]4[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Li0.17Ca2Mg0.05Be4Mn4.9[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 parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (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 = 0.035
  • Sample Detail(s): footemineite sample from, energy-dispersive X-ray analysis; (Ca1.92Sr0.08)(Mn4.17Fe2+0.64Li0.17Mg0.05)Be4([PO4]5.83[SiO4]0.17)[H2O,OH]10, single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.17Ca2Mg0.05Be4Mn4.9[PO4]6[OH]4[H2O]6
  • Alphabetic Formula: Be4Ca2[H2O]6Li0.17Mg0.05Mn4.9[OH]4[PO4]6
  • Published Formula: Ca2[(Mn,Fe)0.90.1][Li0.17Mg0.050.78][Mn2][Mn2]Be4(PO4)6[OH]4[H2O]6
  • Refined Formula: Be4Ca2H16Li0.17Mg0.05Mn4.90O34P6
  • Wyckoff Sequence: 2,i25fb
  • Z Formula Units: 1
  • 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_1818350

  • 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

    Citation copied