Inorganic Solid Phases

Na5KCa2(Si6Al6O24)Cl2(CO3) (KNa5Ca2Al6[SiO4]6[CO3]Cl2) Crystal Structure

General Information

  • Phase Label(s): KNa5Ca2Al6[SiO4]6[CO3]Cl2
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): balliranoite
  • Pearson Symbol: hP84
  • Space Group: 173
  • Phase Prototype: KNa5Ca2Al6[SiO4]6[CO3]Cl2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthosilicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 111 variables; 2104 reflections, R = 0.0379; wR = 0.1012
  • Sample Detail(s): balliranoite sample from Italy, Campania, Vesuvius area, Monte Somma, chemical analysis, electron microprobe analysis; Na4.70Ca2.53K0.73(Si6.02Al5.98O23.995)Cl2.34[CO3]0.82[SO4]0.27[H2O]0.12, twinned crystal (determination of cell parameters), twinned crystal, 0.13×0.15×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa5Ca2Al6[SiO4]6[CO3]Cl2
  • Alphabetic Formula: Al6[CO3]Ca2Cl2KNa5[SiO4]6
  • Published Formula: Na5KCa2(Si6Al6O24)Cl2(CO3)
  • Refined Formula: Al6C0.90Ca2.48Cl2K0.72Na4.80O27.90S0.30Si6
  • Wyckoff Sequence: 173,c12b2a4
  • Z Formula Units: 1
  • Density: ρ = 2.41 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225304

  • 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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