Inorganic Solid Phases

NaCa2Al5Si5O20·6H2O (NaCa2Al5Si5O20[H2O]6) Crystal Structure

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General Information

  • Phase Label(s): NaCa2Al5Si5O20[H2O]6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): thomsonite-Ca
  • Pearson Symbol: oP104
  • Space Group: 52
  • Phase Prototype: NaCa2Al5Si5O20[H2O]6
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (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; 1820 reflections, R = 0.085
  • Sample Detail(s): thomsonite sample from Czech Republic, Usti nad Labem Region, Krusne Hory (Ore Mountains), Ceske Hamry, chemical analysis; Na4.38K0.5Ca6.94[(Al19.50Fe0.07Si20.59)O80][H2O]23.96, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCa2Al5Si5O20[H2O]6
  • Alphabetic Formula: Al5Ca2[H2O]6NaO20Si5
  • Published Formula: NaCa2Al5Si5O20·6H2O
  • Refined Formula: Al4.91Ca1.15H13.60Na1.95O26.80Si4.91
  • Wyckoff Sequence: 52,e12da
  • Z Formula Units: 2
  • Density: ρ = 2.36 Mg·m−3
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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

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1214504

  • 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)

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