Inorganic Solid Phases

Na2K(Fe3+,Mn3+,Al)2Li3Si12O30 (KNa2Li3Mn0.23Fe1.43Al0.34Si12O30) Crystal Structure

General Information

  • Phase Label(s): KNa2Li3Mn0.23Fe1.43Al0.34Si12O30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sugilite
  • Pearson Symbol: hP104
  • Space Group: 192
  • Phase Prototype: KCa2(Be0.77Al0.23)3Si12O29.7[OH]0.3[H2O]0.70
  • Measurement Detail(s): automatic diffractometer; 18 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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, least-squares refinement; 517 reflections; F > 6σ(F), R = 0.0179; wR = 0.029
  • Sample Detail(s): sugilite sample from South Africa, Northern Cape Province, Kalahari manganese field, Wessel's mine, electron microprobe analysis; 72.38 wt.% SiO2, 5.88 wt.% Al2O3, 5.62 wt.% Fe2O3, 0.89 wt.% Mn2O3, 4.5 wt.% Li2O, 5.65 wt.% Na2O, 4.7 wt.% K2O, single crystal (determination of cell parameters), single crystal, 0.175×0.200×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa2Li3Mn0.23Fe1.43Al0.34Si12O30
  • Alphabetic Formula: Al0.34Fe1.43KLi3Mn0.23Na2O30Si12
  • Published Formula: Na2K(Fe3+,Mn3+,Al)2Li3Si12O30
  • Refined Formula: Al0.34Fe1.66KLi3Na1.96O30Si12
  • Wyckoff Sequence: 192,m3lhfca
  • Z Formula Units: 2
  • Density: ρ = 2.80 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]

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_1903875

  • 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