Inorganic Solid Phases

(Na1.14K0.40Ca3.64Sr0.21)(Al9.21Si26.88)O72·13.10H2O (K0.20Na0.57Sr0.10Ca1.82Al4.61Si13.39O36[H2O]6.55, T = 473 K) Crystal Structure

General Information

  • Phase Label(s): K0.20Na0.57Sr0.10Ca1.82Al4.61Si13.39O36[H2O]6.55
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): heulandite-Ca
  • Pearson Symbol: mS150
  • Space Group: 12
  • Phase Prototype: K0.20Na0.57Sr0.10Ca1.82(Al0.26Si0.74)18O36[H2O]7.55
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS IV (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 473 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, least-squares refinement; 162 variables; 1484 reflections; I > 2σ(I), R = 0.0637; wR = 0.159
  • Sample Detail(s): heulandite sample from India, Maharashtra State, electron microprobe analysis, thermogravimetry; (Na1.14K0.40Ca3.64Sr0.21)(Al9.21Si26.88)O72[H2O]13.10, single crystal (determination of cell parameters), single crystal, 0.070×0.140×0.240 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.20Na0.57Sr0.10Ca1.82Al4.61Si13.39O36[H2O]6.55
  • Alphabetic Formula: Al4.61Ca1.82[H2O]6.55K0.20Na0.57O36Si13.39Sr0.10
  • Published Formula: (Na1.14K0.40Ca3.64Sr0.21)(Al9.21Si26.88)O72·13.10H2O
  • Refined Formula: Al3.98Ca1.43H12.48K0.40Na0.28O42.24Si14.02Sr0.05
  • Wyckoff Sequence: 12,j14i7hgd
  • Z Formula Units: 2
  • Density: ρ = 2.08 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_1628160

  • 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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