Inorganic Solid Phases

Si8Mn3+3Mn2+1.58Mg0.42Na2.7K0.3O24 (K0.3Na2.7Mg0.42Mn4.58Si8O24) Crystal Structure

General Information

  • Phase Label(s): K0.3Na2.7Mg0.42Mn4.58Si8O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mangano-mangani-ungarettiite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: K0.1Na0.9Ca1.7Mg2.65Ti0.2Fe1.6Al0.7(Al0.22Si0.78)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer; 60 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 121 variables; 969 reflections; I > 3σ(I), R = 0.0265; wR = 0.0265
  • Sample Detail(s): mangano-mangani-ungarettiite sample from Australia, New South Wales, Grenfell area, Hoskins mine, single crystal (determination of cell parameters), single crystal, 0.050×0.060×0.190 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.3Na2.7Mg0.42Mn4.58Si8O24
  • Alphabetic Formula: K0.3Mg0.42Mn4.58Na2.7O24Si8
  • Published Formula: Si8Mn3+3Mn2+1.58Mg0.42Na2.7K0.3O24
  • Refined Formula: Ca0.07K0.47Mg0.42Mn4.58Na2.34O24Si8
  • Wyckoff Sequence: 12,j7i3h2g2a
  • Z Formula Units: 2
  • Density: ρ = 3.45 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_1243785

  • 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