Inorganic Solid Phases

K(Mg2.61Cu0.39)Cu(AsO4)3 (KMg2.61Cu1.39[AsO4]3) Crystal Structure

General Information

  • Phase Label(s): KMg2.61Cu1.39[AsO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: Na(Mg0.72Zn0.28)3Cu[AsO4]3
  • Measurement Detail(s): automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 42 variables; 1565 reflections; F > 3σ(F), R = 0.057
  • Sample Detail(s): sample prepared from K2CO3, MgCO3, CuO, 3As2O5[H2O]5, energy-dispersive X-ray analysis, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg2.61Cu1.39[AsO4]3
  • Alphabetic Formula: [AsO4]3Cu1.39KMg2.61
  • Published Formula: K(Mg2.61Cu0.39)Cu(AsO4)3
  • Refined Formula: As3Cu1.39KMg2.61O12
  • Wyckoff Sequence: 15,f8e4
  • Z Formula Units: 4
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1710727

  • 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

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