Inorganic Solid Phases

[Rb9Cu6(P2O7)4Cl][Au(0,III)0.55Cl3.18]Cl2; Au2.14Cl25.06Cu24O112P32Rb36 (Rb9Cu6Au0.55[P2O7]4Cl6.18, T = 120(2) K) Crystal Structure

General Information

  • Phase Label(s): Rb9Cu6Au0.55[P2O7]4Cl6.18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI260
  • Space Group: 140
  • Phase Prototype: Rb9Cu6Au0.55[P2O7]4Cl6.18
  • Measurement Detail(s): automatic diffractometer; 6042 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 120(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diphosphate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 93 variables; 1135 reflections, R = 0.0442; wR = 0.1388
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb9Cu6Au0.55[P2O7]4Cl6.18
  • Alphabetic Formula: Au0.55Cl6.18Cu6[P2O7]4Rb9
  • Published Formula: [Rb9Cu6(P2O7)4Cl][Au(0,III)0.55Cl3.18]Cl2; Au2.14Cl25.06Cu24O112P32Rb36
  • Refined Formula: Au0.53Cl6.26Cu6O28P8Rb9
  • Wyckoff Sequence: 140,m4l2k2j2h2gcba
  • Z Formula Units: 4
  • Density: ρ = 3.40 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_1639553

  • 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