Inorganic Solid Phases

Ca3.31Sr0.10Rb1.45K0.25Al8.45Si27.49O72+20.5H2O (Rb0.72K0.12Sr0.05Ca1.66Al4.26Si13.74O36[H2O]10.25) Crystal Structure

General Information

  • Phase Label(s): Rb0.72K0.12Sr0.05Ca1.66Al4.26Si13.74O36[H2O]10.25
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS158
  • Space Group: 12
  • Phase Prototype: Rb0.72K0.12Sr0.05Ca1.66(Al0.24Si0.76)18O36[H2O]10.25
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (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; 2650 reflections; F > 3σ(F), R = 0.0600; wR = 0.0644
  • Sample Detail(s): sample prepared from heulandite, Rb[OH], electron microprobe analysis; Ca3.38Sr0.11Na0.86K0.70Al8.82Si27.22O72[H2O]22.4, single crystal (determination of cell parameters), single crystal, 0.08×0.19×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb0.72K0.12Sr0.05Ca1.66Al4.26Si13.74O36[H2O]10.25
  • Alphabetic Formula: Al4.26Ca1.66[H2O]10.25K0.12O36Rb0.72Si13.74Sr0.05
  • Published Formula: Ca3.31Sr0.10Rb1.45K0.25Al8.45Si27.49O72+20.5H2O
  • Refined Formula: Al4.20Ca1.72H23.48O47.74Rb0.78Si13.80
  • Wyckoff Sequence: 12,j14i9hgc
  • Z Formula Units: 2
  • Density: ρ = 2.20 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1626377

  • 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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