Inorganic Solid Phases

Mg1.2Ca0.1Na0.9Ba0.1K0.4(Al4.5Si11.6O32)·11.5H2O, Si/(Si+Al)= 0.76 (K0.4Na1.0Ba0.1Ca0.1Mg1.3Al4.4Si11.6O32[H2O]11.5) Crystal Structure

General Information

  • Phase Label(s): K0.4Na1.0Ba0.1Ca0.1Mg1.3Al4.4Si11.6O32[H2O]11.5
  • Structure Class(es): zeolite PHI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP70
  • Space Group: 11
  • Phase Prototype: K0.4Na1.0Ba0.1Ca0.1Mg1.3(Al0.28Si0.72)16O32[H2O]11.5
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 88 variables, RP = 0.097; wRP = 0.137
  • Sample Detail(s): phillipsite sample from synthetic, sample prepared from Mg-exchanged phillipsite, electron microprobe analysis; Mg1.2Ca0.1Na0.9Ba0.1K0.4(Al4.5Si11.6O32)[H2O]11.5, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.4Na1.0Ba0.1Ca0.1Mg1.3Al4.4Si11.6O32[H2O]11.5
  • Alphabetic Formula: Al4.4Ba0.1Ca0.1[H2O]11.5K0.4Mg1.3Na1.0O32Si11.6
  • Published Formula: Mg1.2Ca0.1Na0.9Ba0.1K0.4(Al4.5Si11.6O32)·11.5H2O, Si/(Si+Al)= 0.76
  • Refined Formula: Al4.48H21.92K0.22Mg1.52Na0.88O42.96Si11.52
  • Wyckoff Sequence: 11,f14e6d
  • Z Formula Units: 1
  • Density: ρ = 2.08 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_1715728

  • 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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