Inorganic Solid Phases

(Ca5.5Li3.6K1.2Na0.213.5)Li8Be24P24O96·38H2O (K0.6Na0.1Li5.8Ca2.75Be12[PO4]12[H2O]19) Crystal Structure

General Information

  • Phase Label(s): K0.6Na0.1Li5.8Ca2.75Be12[PO4]12[H2O]19
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s): pahasapaite
  • Pearson Symbol: cI244
  • Space Group: 197
  • Phase Prototype: K0.6Na0.1Li5.8Ca2.75Be12[PO4]12[H2O]19
  • Measurement Detail(s): automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 560 reflections, R = 0.047; wR = 0.035
  • Sample Detail(s): pahasapaite sample from U.S.A. South Dakota, Custer County, Black Hills, Tip Top mine, chemical analysis; (Ca5.5Li3.6K1.2Na0.213.5)Li8Be24P24O96[H2O]38, single crystal, 0.34×0.41×0.64 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.6Na0.1Li5.8Ca2.75Be12[PO4]12[H2O]19
  • Alphabetic Formula: Be12Ca2.75[H2O]19K0.6Li5.8Na0.1[PO4]12
  • Published Formula: (Ca5.5Li3.6K1.2Na0.213.5)Li8Be24P24O96·38H2O
  • Refined Formula: Be12Ca2.75H38K0.60Li5.80Na0.10O67P12
  • Wyckoff Sequence: 197,f9dc2
  • Z Formula Units: 2
  • Density: ρ = 2.24 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1600248

  • 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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