Inorganic Solid Phases

(Na0.887K0.001Ca0.001)(Al0.905Si2.102)O6·0.994H2O (Na14.4Al14.4Si33.6O96[H2O]16 hp, p = 2.12(5) GPa) Crystal Structure

General Information

  • Phase Label(s): Na14.4Al14.4Si33.6O96[H2O]16 hp
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s): analcime hp
  • Pearson Symbol: aP184
  • Space Group: 2
  • Phase Prototype: Na14.4(Al0.3Si0.7)48O96[H2O]16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), p = 2.12(5) GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 278 variables; 605 reflections; F > 4σ(F), R = 0.184
  • Sample Detail(s): analcime sample from Italy, Sardinia, Su Marralzu, single crystal (determination of cell parameters), single crystal, 0.060×0.160×0.180 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14.4Al14.4Si33.6O96[H2O]16
  • Alphabetic Formula: Al14.4[H2O]16Na14.4O96Si33.6
  • Published Formula: (Na0.887K0.001Ca0.001)(Al0.905Si2.102)O6·0.994H2O
  • Refined Formula: Al14.40H32Na13.68O112Si33.60
  • Wyckoff Sequence: 2,i92
  • Z Formula Units: 1
  • Density: ρ = 2.42 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_1213015

  • 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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