Inorganic Solid Phases

KxNa2−xCu(PO2NH)4·7H2O, x ≈ 0.5 (K0.47Na1.53CuP4[NH]4O8[H2O]7) Crystal Structure

General Information

  • Phase Label(s): K0.47Na1.53CuP4[NH]4O8[H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP104
  • Space Group: 62
  • Phase Prototype: Na2CuP4[NH]4O8[H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (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): phosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 165 variables; 3431 reflections, R = 0.0345; wR = 0.0741
  • Sample Detail(s): sample prepared from Cu[NO3][H2O]3, β-Na4[PO2NH]4[H2O]3, K4[PO2NH]4[H2O]3, energy-dispersive X-ray analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.09×0.30×0.80 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.47Na1.53CuP4[NH]4O8[H2O]7
  • Alphabetic Formula: Cu[H2O]7K0.47[NH]4Na1.53O8P4
  • Published Formula: KxNa2−xCu(PO2NH)4·7H2O, x ≈ 0.5
  • Refined Formula: CuH18K0.47N4Na1.53O15P4
  • Wyckoff Sequence: 62,d10c6
  • Z Formula Units: 4
  • Density: ρ = 2.06 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_1602271

  • 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