Inorganic Solid Phases

PrV3Te3O15(OH)3·nH2O, n= 2 (Pr2V6[TeO3]3[TeO6]3O3[OH]6[H2O]4, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Pr2V6[TeO3]3[TeO6]3O3[OH]6[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP144
  • Space Group: 194
  • Phase Prototype: Pr2V6[TeO3]3[TeO6]3O3[OH]6[H2O]4
  • Measurement Detail(s): automatic diffractometer; 1396 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II QUAZAR (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, trioxotellurate(IV), hexaoxotellurate(VI), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 72 variables; 598 reflections; I > 2σ(I), R = 0.0396; wR = 0.1044
  • Sample Detail(s): sample prepared from Pr[NO3]3, TeO2, V2O5, H2O, energy-dispersive X-ray analysis, single crystal (determination of cell parameters), single crystal, 0.010×0.010×0.015 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pr2V6[TeO3]3[TeO6]3O3[OH]6[H2O]4
  • Alphabetic Formula: [H2O]4O3[OH]6Pr2[TeO3]3[TeO6]3V6
  • Published Formula: PrV3Te3O15(OH)3·nH2O, n= 2
  • Refined Formula: H14O40Pr2Te6V6
  • Wyckoff Sequence: 194,l2k5jhgf2e
  • Z Formula Units: 2
  • Density: ρ = 4.20 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_1640751

  • 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