Inorganic Solid Phases

[K(H2O)n][CuZn(CN)4], n= 11.2 (KCuZn[CN]4[H2O]11.2) Crystal Structure

General Information

  • Phase Label(s): KCuZn[CN]4[H2O]11.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP20
  • Space Group: 186
  • Phase Prototype: KCuZn[CN]4[H2O]11.2
  • Measurement Detail(s): automatic diffractometer; 6691 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071075 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 25 variables; 645 reflections; I > 2σ(I), R = 0.049; wR = 0.151
  • Sample Detail(s): sample prepared from KCN, K2(Zn[CN]4), CuCN, chemical analysis, inductive coupled plasma method; 15.7(1) wt.% Cu, 16.2(1) wt.% Zn, 11.5(1) wt.% C, 3.33(4) wt.% H, 13.7(1) wt.% N; 8.0(4) wt.% K, 13.7(1) wt.% Cu, 14.0(1) wt.% Zn, single crystal (determination of cell parameters), single crystal, 0.34×0.35×0.39 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KCuZn[CN]4[H2O]11.2
  • Alphabetic Formula: [CN]4Cu[H2O]11.2KZn
  • Published Formula: [K(H2O)n][CuZn(CN)4], n= 11.2
  • Refined Formula: C4CuN4Zn
  • Wyckoff Sequence: 186,c2b4
  • Z Formula Units: 2
  • Density: ρ = 1.98 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_1127435

  • 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