Inorganic Solid Phases

(Na31K11Ca6)(Si36Al36)O144(SO4)8Cl2[H2O]6 (K11Na31Ca6Al36[SiO4]36[SO4]8Cl2[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K11Na31Ca6Al36[SiO4]36[SO4]8Cl2[H2O]6
  • Structure Class(es): zeolite MAR
  • Classification by Properties:
  • Mineral Name(s): marinellite
  • Pearson Symbol: hP364
  • Space Group: 159
  • Phase Prototype: K11Na31Ca6Al36[SiO4]36[SO4]8Cl2[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, orthosilicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 247 variables; 4511 reflections; I > 2σ(I), R = 0.098; wR = 0.254
  • Sample Detail(s): marinellite sample from Italy, Latium, Vico volcanic complex, electron microprobe analysis; 32.73 wt.% SiO2, 27.80 wt.% Al2O3, 14.95 wt.% Na2O, 9.84 wt.% SO3, 7.94 wt.% K2O, 5.14 wt.% CaO, 0.93 wt.% H2O, 0.87 wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K11Na31Ca6Al36[SiO4]36[SO4]8Cl2[H2O]6
  • Alphabetic Formula: Al36Ca6Cl2[H2O]6K11Na31[SO4]8[SiO4]36
  • Published Formula: (Na31K11Ca6)(Si36Al36)O144(SO4)8Cl2[H2O]6
  • Refined Formula: Al36Ca6.02Cl2H11.99K10.74Na31.24O182S8Si36
  • Wyckoff Sequence: 159,c53b14a9
  • 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_1814628

  • 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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