Inorganic Solid Phases

In8.4H1.2-Si12Al12O48(In2S)0.6(H2S)2 (H1.2Al12In9.6Si12S0.6O48[H2S]2) Crystal Structure

General Information

  • Phase Label(s): H1.2Al12In9.6Si12S0.6O48[H2S]2
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP215
  • Space Group: 221
  • Phase Prototype: H1.2Al12In9.6Si12S0.6O48[H2S]2
  • 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, least-squares refinement; 240 reflections; I > 3σ(I), R = 0.063; wR = 0.058
  • Sample Detail(s): sample prepared from Tl12Si12Al12O48, In, H2S, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.2Al12In9.6Si12S0.6O48[H2S]2
  • Alphabetic Formula: Al12H1.2[H2S]2In9.6O48S0.6Si12
  • Published Formula: In8.4H1.2-Si12Al12O48(In2S)0.6(H2S)2
  • Refined Formula: Al12In10.50O48S3.23Si12
  • Wyckoff Sequence: 221,n2mkihg5fa
  • Z Formula Units: 1
  • Density: ρ = 2.47 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_1622509

  • 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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