Inorganic Solid Phases

hydrated Ni3Na6-A (H9Na6Ni3Al12Si12O48[OH]9[H2O]21) Crystal Structure

General Information

  • Phase Label(s): H9Na6Ni3Al12Si12O48[OH]9[H2O]21
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP216
  • Space Group: 221
  • Phase Prototype: H9Na6Ni3(Al0.5Si0.5)24O48[OH]9[H2O]21
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 41 variables; 180 reflections; I > 3σ(I), R = 0.141; wR = 0.115
  • Sample Detail(s): sample prepared from Na12-A zeolite, Ni(O2CCH3)2[H2O]4, single crystal (determination of cell parameters), single crystal, 0.075 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H9Na6Ni3Al12Si12O48[OH]9[H2O]21
  • Alphabetic Formula: Al12H9[H2O]21Na6Ni3O48[OH]9Si12
  • Published Formula: hydrated Ni3Na6-A
  • Refined Formula: Al12H51.06Na4Ni3O78.04Si12
  • Wyckoff Sequence: 221,nm3lkihg3
  • Z Formula Units: 1
  • Density: ρ = 2.06 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1903044

  • 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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