Inorganic Solid Phases

SDA3.0[(Si33.2B1.4Ge1.4)O72]·0.7H2O; calcined [B-Si-Ge-O]-CHA (H0.47Ge0.47Si11.06B0.47O24[H2O]1.6) Crystal Structure

General Information

  • Phase Label(s): H0.47Ge0.47Si11.06B0.47O24[H2O]1.6
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR150
  • Space Group: 166
  • Phase Prototype: Li3.54(Al0.29Si0.71)12O24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID31 (determination of structural parameters), X-rays, synchrotron; λ = 0.049589 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined
  • Sample Detail(s): sample prepared from GeO2 (α-quartz), H3BO3, 6-aziniaspiro[5,5]-undecane hydroxide, energy-dispersive X-ray analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.47Ge0.47Si11.06B0.47O24[H2O]1.6
  • Alphabetic Formula: B0.47Ge0.47H0.47[H2O]1.6O24Si11.06
  • Published Formula: SDA3.0[(Si33.2B1.4Ge1.4)O72]·0.7H2O; calcined [B-Si-Ge-O]-CHA
  • Refined Formula: B0.48Ge0.48H3.14O25.57Si11.04
  • Wyckoff Sequence: 166,i2h2gfc
  • Z Formula Units: 3
  • Density: ρ = 1.62 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_1640059

  • 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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