Inorganic Solid Phases

KNa5Mn3(MoO4)6 (K0.5Na2.5Mn1.5[MoO4]3) Crystal Structure

General Information

  • Phase Label(s): K0.5Na2.5Mn1.5[MoO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: Na2Cd(Mn0.5Fe0.5)2[PO4]3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): molybdate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 97 variables; 1155 reflections; F2 > 2σ(F2), R = 0.0209; wR = 0.0536
  • Sample Detail(s): sample prepared from Na2CO3, C9H9MnO6[H2O]2, K2CO3, [NH4]2Mo4O13, single crystal (determination of cell parameters), single crystal, 0.18×0.22×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.5Na2.5Mn1.5[MoO4]3
  • Alphabetic Formula: K0.5Mn1.5[MoO4]3Na2.5
  • Published Formula: KNa5Mn3(MoO4)6
  • Refined Formula: K0.50Mn1.50Mo3Na2.50O12
  • Wyckoff Sequence: 15,f8e3b
  • Z Formula Units: 4
  • Density: ρ = 3.64 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_1142084

  • 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