Inorganic Solid Phases

NaNa2(Mn2+2Mn3+3)Si8O22O2; (K0.15Na0.82)(Na1.97Ca0.03)(Mn2+1.66Mg0.34Mn3+2.96Fe3+0.06Zn0.01)(Si7.99Al0.01)O22O2 (K0.15Na2.79Ca0.03Mg0.34Mn4.66Si8O24) Crystal Structure

General Information

  • Phase Label(s): K0.15Na2.79Ca0.03Mg0.34Mn4.66Si8O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): 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; 48 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 932 reflections, R = 0.014
  • Sample Detail(s): ungarettiite sample from Australia, New South Wales, Grenfell area, Hoskins mine, electron microprobe analysis; Si8.023(Fe3+0.058Mn3+2.928Mn2+1.625Mg0.357Li0.013)(Ca0.032Na1.968)(Na0.795K0.150)O24; no Al, Ti, Ni, Cr, F, or Cl detected, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.15Na2.79Ca0.03Mg0.34Mn4.66Si8O24
  • Alphabetic Formula: Ca0.03K0.15Mg0.34Mn4.66Na2.79O24Si8
  • Published Formula: NaNa2(Mn2+2Mn3+3)Si8O22O2; (K0.15Na0.82)(Na1.97Ca0.03)(Mn2+1.66Mg0.34Mn3+2.96Fe3+0.06Zn0.01)(Si7.99Al0.01)O22O2
  • Refined Formula: Ca0.03K0.16Mg0.29Mn4.71Na2.76O24Si8
  • Wyckoff Sequence: 12,j7i3h2g2a
  • Z Formula Units: 2
  • Density: ρ = 3.44 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_1617446

  • 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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