Inorganic Solid Phases

(Na0.2K0.8Ca0.5Mg2)Al7Si29O72·18H2O (K0.4Na0.1Ca0.25MgAl3Si15O36[H2O]9) Crystal Structure

General Information

  • Phase Label(s): K0.4Na0.1Ca0.25MgAl3Si15O36[H2O]9
  • Structure Class(es): zeolite FER
  • Classification by Properties:
  • Mineral Name(s): ferrierite-Mg
  • Pearson Symbol: oI154
  • Space Group: 71
  • Phase Prototype: K0.4Na0.1Ca0.25Mg(Al0.17Si0.83)18O36[H2O]9
  • Measurement Detail(s): diffractometer; 30 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 726 reflections; I > 3σ(I), R = 0.072
  • Sample Detail(s): ferrierite sample from U.S.A. California, Silver Mountain, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.4Na0.1Ca0.25MgAl3Si15O36[H2O]9
  • Alphabetic Formula: Al3Ca0.25[H2O]9K0.4MgNa0.1O36Si15
  • Published Formula: (Na0.2K0.8Ca0.5Mg2)Al7Si29O72·18H2O
  • Refined Formula: Al3.49H27.20MgO49.60Si14.51
  • Wyckoff Sequence: 71,o3nm3l5kj2i2hea
  • Z Formula Units: 2
  • Density: ρ = 2.11 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2090166

  • 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

    Citation copied