Inorganic Solid Phases

Cs4Na2Zr3[Si18O45](H2O)2; (Cs3.80Na0.18K0.02)Na2(Zr2.76Ti0.19Sn0.05Fe0.05)[Si18O45](H2O)2 (Cs3.85Na2.2Zr2.7Ti0.2Fe0.05Sn0.05Si18O45[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Cs3.85Na2.2Zr2.7Ti0.2Fe0.05Sn0.05Si18O45[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zeravshanite
  • Pearson Symbol: mS296
  • Space Group: 15
  • Phase Prototype: (Cs0.95Na0.95)4Na2(Zr0.90Ti0.10)3Si18O45[H2O]2
  • Measurement Detail(s): automatic diffractometer; 3772 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (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): complete structure determined, full-matrix least-squares refinement on F2; 4508 reflections; F > 4σ(F), R = 0.0475; wR = 0.0696
  • Sample Detail(s): zeravshanite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; Si17.96Fe3+0.05Ti0.19Sn4+0.05Zr2.76Na2.19K0.02Cs3.80H4.00O47, single crystal (determination of cell parameters), single crystal, 0.084×0.105×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3.85Na2.2Zr2.7Ti0.2Fe0.05Sn0.05Si18O45[H2O]2
  • Alphabetic Formula: Cs3.85Fe0.05[H2O]2Na2.2O45Si18Sn0.05Ti0.2Zr2.7
  • Published Formula: Cs4Na2Zr3[Si18O45](H2O)2; (Cs3.80Na0.18K0.02)Na2(Zr2.76Ti0.19Sn0.05Fe0.05)[Si18O45](H2O)2
  • Refined Formula: Cs3.80Fe0.04H4K0.02Na2.18O47Si18Sn0.04Ti0.19Zr2.73
  • Wyckoff Sequence: 15,f35edca
  • Z Formula Units: 4
  • Density: ρ = 3.18 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_1321125

  • 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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