Inorganic Solid Phases

Na0.06K1.69Mg0.07Ca3.77(Al9.60Si26.41O72)·31.63H2O (K2Ca3.5Al9Si27O72[H2O]32) Crystal Structure

General Information

  • Phase Label(s): K2Ca3.5Al9Si27O72[H2O]32
  • Structure Class(es): zeolite ERI
  • Classification by Properties:
  • Mineral Name(s): erionite-Ca
  • Pearson Symbol: hP188
  • Space Group: 194
  • Phase Prototype: K2Ca3.5(Al0.25Si0.75)36O72[H2O]32
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), neutrons; λ = 0.09358 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 91 variables; 718 reflections, wRP = 0.026; RB = 0.062
  • Sample Detail(s): erionite sample from Russia, Siberia, Nizhnyaya Tunguska, electron microprobe analysis; Na0.06K1.69Mg0.07Ca3.77(Al9.60Si26.41O72)[H2O]31.63, Si/(Si+Al) ratio 0.73/1, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2Ca3.8Al9.6Si26.4O72[H2O]31.6
  • Alphabetic Formula: Al9.6Ca3.8[H2O]31.6K2O72Si26.4
  • Published Formula: Na0.06K1.69Mg0.07Ca3.77(Al9.60Si26.41O72)·31.63H2O
  • Refined Formula: Al9.72Ca3.60H53.52K1.70O98.76Si26.28
  • Wyckoff Sequence: 194,l2k7jih3gf3b
  • Z Formula Units: 1
  • Density: ρ = 2.12 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_1410822

  • 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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