Inorganic Solid Phases

K9Si12Al12O48·(Ag4I4)0.5·K4I (K13Ag2Al12Si12I3O48) Crystal Structure

General Information

  • Phase Label(s): K13Ag2Al12Si12I3O48
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP164
  • Space Group: 221
  • Phase Prototype: K13Ag2(Al0.5Si0.5)24I3O48
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays (determination of cell and structural parameters), T = 294(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, iodide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 50 variables; 264 reflections; F > 4σ(F), R = 0.077; wR = 0.342
  • Sample Detail(s): sample prepared from Na12Si12Al12O48[H2O]27, AgNO3, KI, single crystal (determination of cell parameters), single crystal, 0.08 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: K13Ag2Al12Si12I3O48
  • Alphabetic Formula: Ag2Al12I3K13O48Si12
  • Published Formula: K9Si12Al12O48·(Ag4I4)0.5·K4I
  • Refined Formula: Ag2Al12I3K12.99O48Si12
  • Wyckoff Sequence: 221,ml2kjihg4
  • Z Formula Units: 1
  • Density: ρ = 2.27 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

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_1121039

  • 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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