Inorganic Solid Phases

Si3.61Ge4.39O15.50(OH); calcined PKU-12 (Ge105.36Si86.64O372[OH]24, T = 623(2) K) Crystal Structure

General Information

  • Phase Label(s): Ge105.36Si86.64O372[OH]24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP588
  • Space Group: 221
  • Phase Prototype: (Ge0.55Si0.45)192O372[OH]24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 623(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.048; wRP = 0.0674
  • Sample Detail(s): sample prepared from GeO2 (α-quartz), SiO2, C9H22NI, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ge105.36Si86.64O372[OH]24
  • Alphabetic Formula: Ge105.36O372[OH]24Si86.64
  • Published Formula: Si3.61Ge4.39O15.50(OH); calcined PKU-12
  • Refined Formula: Ge105.41H24O396Si86.59
  • Wyckoff Sequence: 221,n7m4l3k2j2h
  • Z Formula Units: 1
  • Density: ρ = 1.52 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1941277

  • 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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