Inorganic Solid Phases

Ca2.5Al6Si10O32·14H2O (Ca2.83Al5.66Si10.34O32[H2O]13.5) Crystal Structure

General Information

  • Phase Label(s): Ca2.83Al5.66Si10.34O32[H2O]13.5
  • Structure Class(es): zeolite GIS
  • Classification by Properties:
  • Mineral Name(s): garronite
  • Pearson Symbol: tI144
  • Space Group: 88
  • Phase Prototype: Ca1.415(Al0.35Si0.65)8O16[H2O]6.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 78 variables, RP = 0.087; wRP = 0.119; RB = 0.188
  • Sample Detail(s): garronite sample from Italy, Venetia, Fara Vicentina, electron microprobe analysis; K0.5Na0.06Ca2.57Sr0.11Al5.63Si10.40O32[H2O]13.79, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.4Al2.8Si5.2O16[H2O]7
  • Alphabetic Formula: Al2.8Ca1.4[H2O]7O16Si5.2
  • Published Formula: Ca2.5Al6Si10O32·14H2O
  • Refined Formula: Al2.80Ca1.74H12.56O22.28Si5.20
  • Wyckoff Sequence: 119,j2i4hge2
  • Z Formula Units: 2
  • Density: ρ = 2.18 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_1616886

  • 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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