Inorganic Solid Phases

In9.8H0.4-Si12Al12O48(InSH)0.4(H2S) (H0.8Al12In10.2Si12S0.4O48[H2S]) Crystal Structure

General Information

  • Phase Label(s): H0.8Al12In10.2Si12S0.4O48[H2S]
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP207
  • Space Group: 221
  • Phase Prototype: H0.8Al12In10.2Si12S0.4O48[H2S]
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.070930 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, sulfide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 227 reflections; I > 3σ(I), R = 0.065; wR = 0.064
  • Sample Detail(s): sample prepared from Tl12Si12Al12O48, In, H2S, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.8Al12In10.2Si12S0.4O48[H2S]
  • Alphabetic Formula: Al12H0.8[H2S]In10.2O48S0.4Si12
  • Published Formula: In9.8H0.4-Si12Al12O48(InSH)0.4(H2S)
  • Refined Formula: Al12In14.72O48S1.74Si12
  • Wyckoff Sequence: 221,nml2kihg4fa
  • Z Formula Units: 1
  • Density: ρ = 2.49 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_1623940

  • 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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