Inorganic Solid Phases

Ca5.5Li11.6K1.2Na0.2Be24P24O96 (Li2CaBe4[PO4]4, T = 473 K) Crystal Structure

General Information

  • Phase Label(s): Li2CaBe4[PO4]4
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI192
  • Space Group: 197
  • Phase Prototype: Li2CaBe4[PO4]4
  • Measurement Detail(s): automatic diffractometer; 18 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 473 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F; 35 variables; 319 reflections; I > 3σ(I), R = 0.054; wR = 0.062
  • Sample Detail(s): pahasapaite sample from U.S.A. South Dakota, Custer County, Black Hills, Tip Top mine, sample prepared from Ca5.5Li11.6K1.2Na0.2Be24P24O96[H2O]38, chemical analysis; Ca5.5Li11.6K1.2Na0.2Be24P24O96, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li2CaBe4[PO4]4
  • Alphabetic Formula: Be4CaLi2[PO4]4
  • Published Formula: Ca5.5Li11.6K1.2Na0.2Be24P24O96
  • Refined Formula: Be4CaLi2O16P4
  • Wyckoff Sequence: 197,f7c3
  • Z Formula Units: 6
  • Density: ρ = 2.08 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_1408824

  • 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)

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