Inorganic Solid Phases

(Na,Ca)24K10[(Si,Al)60O120](SO4)5.6Cl1.5(CO3)0.4·11H2O (K10Na14.1Ca9.9Al30Si30[CO3]0.4[SO4]5.6Cl1.5O120[H2O]11) Crystal Structure

General Information

  • Phase Label(s): K10Na14.1Ca9.9Al30Si30[CO3]0.4[SO4]5.6Cl1.5O120[H2O]11
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP304
  • Space Group: 143
  • Phase Prototype: K10Na14.1Ca9.9(Al0.5Si0.5)60[CO3]0.4[SO4]5.6Cl1.5O120[H2O]11
  • 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)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 5σ(F), R = 0.057
  • Sample Detail(s): cancrinite sample from Italy, Latium, Sabatini volcanic complex, Monte Cavalluccio, Sacrofano Caldera, electron microprobe analysis; Na12−14Ca10.5−11K9−9.5(Si6Al6O24)5[SO4]6−6.5Cl0.5−1.5[H2O]x, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K10Na14.1Ca9.9Al30Si30[CO3]0.4[SO4]5.6Cl1.5O120[H2O]11
  • Alphabetic Formula: Al30[CO3]0.4Ca9.9Cl1.5[H2O]11K10Na14.1O120[SO4]5.6Si30
  • Published Formula: (Na,Ca)24K10[(Si,Al)60O120](SO4)5.6Cl1.5(CO3)0.4·11H2O
  • Refined Formula: Al30C0.36Ca11.41Cl1.56H21.94K10.27Na18O154.74S5.45Si30
  • Wyckoff Sequence: 143,d88c12b12a16
  • 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
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_1629336

  • 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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