Inorganic Solid Phases

Ca2Al(Al,Si)2.28O2(OH)12·2.25H2O (Ca2Al2.14Si1.14O2[OH]12[H2O]2.25) Crystal Structure

General Information

  • Phase Label(s): Ca2Al2.14Si1.14O2[OH]12[H2O]2.25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): strätlingite
  • Pearson Symbol: hR90
  • Space Group: 166
  • Phase Prototype: Ca2Al(Al0.5Si0.5)2.28O2[OH]12[H2O]2.25
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 138 reflections; I > 2σ(I), R = 0.080
  • Sample Detail(s): strätlingite sample from Italy, Latium, Montalto di Castro, electron microprobe analysis; 15.97 wt.% SiO2, 24.15 wt.% Al2O3, 25.60 wt.% CaO, 28.00 wt.% H2O, 0.74 wt.% SrO, 0.81 wt.% BaO, 0.04 wt.% K2O, 0.01 wt.% Na2O, single crystal (determination of cell parameters), single crystal, 0.04×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Al2.14Si1.14O2[OH]12[H2O]2.25
  • Alphabetic Formula: Al2.14Ca2[H2O]2.25O2[OH]12Si1.14
  • Published Formula: Ca2Al(Al,Si)2.28O2(OH)12·2.25H2O
  • Refined Formula: Al2.11Ca2H16.50O16.25Si1.11
  • Wyckoff Sequence: 166,ihc5ba
  • Z Formula Units: 3
  • Density: ρ = 2.06 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617984

  • 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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