Inorganic Solid Phases

NaCa4(Al9Si27O72)·30H2O (Na0.65Ca2.25Al5.15Si12.85O36[H2O]17) Crystal Structure

General Information

  • Phase Label(s): Na0.65Ca2.25Al5.15Si12.85O36[H2O]17
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s): stilbite-Ca M
  • Pearson Symbol: mS152
  • Space Group: 12
  • Phase Prototype: Na0.65Ca2.25(Al0.29Si0.71)18O36[H2O]17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; temperature dependence studied, full-matrix least-squares refinement on F2; 1624 reflections; I > 2σ(I), R = 0.0376; wR = 0.0759
  • Sample Detail(s): stilbite sample from Russia, East Siberia, Nizhnyaya Tunguska river basin, Nidym river, electron microprobe analysis, thermogravimetry; Ca3.98Na1.10Al9.07Si26.93O72[H2O]29, single crystal (determination of cell parameters), single crystal, 0.07×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca2Al4.5Si13.5O36[H2O]14.5
  • Alphabetic Formula: Al4.5Ca2[H2O]14.5Na0.5O36Si13.5
  • Published Formula: NaCa4(Al9Si27O72)·30H2O
  • Refined Formula: Al4.64Ca1.96H28.17Na0.54O50.09Si13.36
  • Wyckoff Sequence: 12,j17i9hg
  • Z Formula Units: 2
  • Density: ρ = 2.16 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_1129435

  • 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