Inorganic Solid Phases

Rb2(Ti)(Ge0.121Ti0.879)O2(PO4)2 (RbTi0.94Ge0.06[PO4]O) Crystal Structure

General Information

  • Phase Label(s): RbTi0.94Ge0.06[PO4]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP76
  • Space Group: 33
  • Phase Prototype: K0.55Li0.45Ti[PO4]O
  • Measurement Detail(s): automatic diffractometer; 23 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined; absolute structure determined, least-squares refinement on F; 158 variables; 2513 reflections; F > 0σ(F), R = 0.021; wR = 0.032
  • Sample Detail(s): sample prepared from Rb2CO3, [NH4]H2PO4, TiO2 rutile, GeO2 (α-quartz), single crystal (determination of cell parameters), single crystal, 0.04×0.10×0.60 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: RbTi0.94Ge0.06[PO4]O
  • Alphabetic Formula: Ge0.06O[PO4]RbTi0.94
  • Published Formula: Rb2(Ti)(Ge0.121Ti0.879)O2(PO4)2
  • Refined Formula: Ge0.06O5PRbTi0.94
  • Wyckoff Sequence: 33,a19
  • Z Formula Units: 8
  • Density: ρ = 3.71 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1816273

  • 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

    Citation copied