Inorganic Solid Phases

(Ca5.5Li3.6K1.2Na0.213.5)Li8Be24P24O96 (K0.6Na0.1Li5.8Ca2.75Be12[PO4]12) Crystal Structure

General Information

  • Phase Label(s): K0.6Na0.1Li5.8Ca2.75Be12[PO4]12
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI174
  • Space Group: 197
  • Phase Prototype: K0.6Na0.1Li5.8Ca2.75Be12[PO4]12
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 555 reflections; I > 3σ(I), R = 0.042; wR = 0.037
  • Sample Detail(s): pahasapaite sample from, sample prepared from K1.2Na0.2Li11.6Ca5.5Be24P24O96[H2O]38, single crystal (determination of cell parameters), single crystal, 0.40×0.42×0.52 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.6Na0.1Li5.8Ca2.75Be12[PO4]12
  • Alphabetic Formula: Be12Ca2.75K0.6Li5.8Na0.1[PO4]12
  • Published Formula: (Ca5.5Li3.6K1.2Na0.213.5)Li8Be24P24O96
  • Refined Formula: Be12Ca2.59K0.60Li7.50Na0.10O48P12
  • Wyckoff Sequence: 197,f6c3b
  • Z Formula Units: 2
  • Density: ρ = 2.10 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
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_1408927

  • 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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