Inorganic Solid Phases

K14[O{Re(OH)(α2-P2W17O61)}2]·21H2O (K14W34Re2P4O123[OH]2[H2O]21, T = 90(2) K) Crystal Structure

General Information

  • Phase Label(s): K14W34Re2P4O123[OH]2[H2O]21
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP205
  • Space Group: 2
  • Phase Prototype: K14W34Re2[PO4]4O107[OH]2[H2O]21
  • Measurement Detail(s): automatic diffractometer; 3418 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 90(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, phosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 549 variables; 9771 reflections; F > 2σ(F), R = 0.0723; wR = 0.1587
  • Sample Detail(s): sample prepared from K2ReCl6, K10[P2W17O61][H2O]17, chemical analysis, thermogravimetry; 0.13 wt.% H, < 0.1 wt.% Cl, 5.91 wt.% K, 1.24 wt.% P, 3.93 wt.% Re; crystalline H2O content analyzed, single crystal (determination of cell parameters), single crystal, 0.01×0.06×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K14W34Re2[PO4]4O107[OH]2[H2O]21
  • Alphabetic Formula: [H2O]21K14O107[OH]2[PO4]4Re2W34
  • Published Formula: K14[O{Re(OH)(α2-P2W17O61)}2]·21H2O
  • Refined Formula: H44K14O146P4Re2W34
  • Wyckoff Sequence: 2,i102h
  • Z Formula Units: 1
  • Density: ρ = 4.49 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_1716030

  • 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