Inorganic Solid Phases

CaLi2[Al4(PO4)4(OH,F)4] (Li2CaAl4[PO4]4[OH]4) Crystal Structure

General Information

  • Phase Label(s): Li2CaAl4[PO4]4[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bertossaite
  • Pearson Symbol: oI132
  • Space Group: 72
  • Phase Prototype: Li2CaAl4[PO4]4[OH]4
  • Measurement Detail(s): automatic diffractometer; 37 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (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
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 85 variables; 794 reflections, R = 0.0321; wR = 0.0757
  • Sample Detail(s): bertossaite sample from Rwanda, Buranga, electron microprobe analysis; (Ca0.83Na0.15Sr0.02)(Li1.86Mn0.10Na0.04)[(Al3.90Fe0.09Mg0.01)[PO4]4[OH]3.35F0.65], single crystal (determination of cell parameters), single crystal, 0.08×0.13×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2CaAl4[PO4]4[OH]4
  • Alphabetic Formula: Al4CaLi2[OH]4[PO4]4
  • Published Formula: CaLi2[Al4(PO4)4(OH,F)4]
  • Refined Formula: Al3.91Ca0.87H4Li1.86Mn0.10Na0.27O20P4
  • Wyckoff Sequence: 72,k4j6g2a
  • Z Formula Units: 4
  • Density: ρ = 3.10 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226417

  • 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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