Inorganic Solid Phases

Ca3.1Na0.1Ag1.3Al7.8Si28.2O72·25H2O (Ca1.5Ag0.6Al3.6Si14.4O36[H2O]12.5) Crystal Structure

General Information

  • Phase Label(s): Ca1.5Ag0.6Al3.6Si14.4O36[H2O]12.5
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS150
  • Space Group: 12
  • Phase Prototype: Ca1.5Ag0.6(Al0.3Si0.7)12Si6O36[H2O]12.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays (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; 1414 reflections; I > 3σ(I), R = 0.051
  • Sample Detail(s): sample prepared from heulandite, AgNO3, single crystal (determination of cell parameters), single crystal, 0.05×0.15×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.5Ag0.6Al3.6Si14.4O36[H2O]12.5
  • Alphabetic Formula: Ag0.6Al3.6Ca1.5[H2O]12.5O36Si14.4
  • Published Formula: Ca3.1Na0.1Ag1.3Al7.8Si28.2O72·25H2O
  • Refined Formula: Ag0.65Al3.60Ca1.50H17.50O44.75Si14.40
  • Wyckoff Sequence: 12,j14i7hgb
  • Z Formula Units: 2
  • Density: ρ = 2.24 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1905898

  • 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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