Inorganic Solid Phases

Sr4.35Ca0.13[Al8.96Si27.04O72]·19H2O (Sr2.18Ca0.06Al4.48Si13.52O36[H2O]9.5, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Sr2.18Ca0.06Al4.48Si13.52O36[H2O]9.5
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS156
  • Space Group: 8
  • Phase Prototype: Sr2.18Ca0.06(Al0.25Si0.75)18O36[H2O]9.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 100 K (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 on F2; 344 variables; 2541 reflections; F > 4σ(F), R = 0.0442; wR = 0.1192
  • Sample Detail(s): sample prepared from natural heulandite, SrCl2[H2O]6, electron microprobe analysis; Sr4.35Ca0.13[Al8.96Si27.04O72][H2O]19, single crystal (determination of cell parameters), single crystal, 0.18×0.24×0.46 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr2.18Ca0.06Al4.48Si13.52O36[H2O]9.5
  • Alphabetic Formula: Al4.48Ca0.06[H2O]9.5O36Si13.52Sr2.18
  • Published Formula: Sr4.35Ca0.13[Al8.96Si27.04O72]·19H2O
  • Refined Formula: Al4.50H18.58O45.29Si13.50Sr2.08
  • Wyckoff Sequence: 8,b31a16
  • Z Formula Units: 2
  • Density: ρ = 2.30 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]

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_1221405

  • 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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