Inorganic Solid Phases

Na6.45K0.41Ca0.03Si6.53Al5.46O24(C2O4)0.455(SO4)0.13(PO4)0.09(OH)0.01·4.74H2O (K0.41Na6.47Ca0.03Al5.46Si6.53[PO4]0.09[C2O4]0.46[SO4]0.13O24[OH]0.01[H2O]4.74, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): K0.41Na6.47Ca0.03Al5.46Si6.53[PO4]0.09[C2O4]0.46[SO4]0.13O24[OH]0.01[H2O]4.74
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): kyanoxalite
  • Pearson Symbol: hP94
  • Space Group: 173
  • Phase Prototype: K0.41Na6.47Ca0.03Al5.46Si6.53[PO4]0.09[C2O4]0.46[SO4]0.13O24[OH]0.01[H
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, hydroxide, orthophosphate, sulfate, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 95 variables; 1095 reflections; I > 2σ(I), R = 0.0333; wR = 0.0834
  • Sample Detail(s): kyanoxalite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Karnasurt, electron microprobe analysis; Na6.45K0.41Ca0.03Si6.53Al5.46O24[C2O4]0.455[SO4]0.13[PO4]0.09[OH]0.01[H2O]4.74, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.41Na6.47Ca0.03Al5.46Si6.53[PO4]0.09[C2O4]0.46[SO4]0.13O24[OH]0.01[H2O]4.74
  • Alphabetic Formula: Al5.46[C2O4]0.46Ca0.03[H2O]4.74K0.41Na6.47O24[OH]0.01[PO4]0.09[SO4]0.13Si6.53
  • Published Formula: Na6.45K0.41Ca0.03Si6.53Al5.46O24(C2O4)0.455(SO4)0.13(PO4)0.09(OH)0.01·4.74H2O
  • Refined Formula: Al6C1.07H8.70K0.58Na6.41O30.48Si6
  • Wyckoff Sequence: 173,c14ba4
  • Z Formula Units: 1
  • Density: ρ = 2.37 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_1126685

  • 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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