Inorganic Solid Phases

NaNa2(MgMn3+2Ti4+Li)Si8O22O2 (K0.4Na2.6Li0.9Mg1.9Ti0.6Mn0.9Fe0.8Si8O23.2[OH]0.8) Crystal Structure

General Information

  • Phase Label(s): K0.4Na2.6Li0.9Mg1.9Ti0.6Mn0.9Fe0.8Si8O23.2[OH]0.8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mangani-dellaventuraite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: K0.4Na2.6Li0.9Mg1.9Ti0.6Mn0.9Fe0.8Si8O23.2[OH]0.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 762 reflections; F > 4σ(F), R = 0.038; wR = 0.040
  • Sample Detail(s): dellaventuraite sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, sample prepared from dellaventuraite, electron microprobe analysis, secondary ion mass spectrometry; no Cr, V, F and Cl detected; (K0.40Na0.61)(Na1.71Ca0.29)(Mg1.81Zn0.01Ni0.02Li0.90Fe3+0.71Mn3+0.85Ti4+0.60Al0.10)(Si7.96Al0.04)O22[(OH0.80)O1.20], single crystal (determination of cell parameters), single crystal, 0.025×0.040×0.040 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.4Na2.6Li0.9Mg1.9Ti0.6Mn0.9Fe0.8Si8O23.2[OH]0.8
  • Alphabetic Formula: Fe0.8K0.4Li0.9Mg1.9Mn0.9Na2.6O23.2[OH]0.8Si8Ti0.6
  • Published Formula: NaNa2(MgMn3+2Ti4+Li)Si8O22O2
  • Refined Formula: Al0.10Ca0.29Fe0.71H0.80K0.40Li0.90Mg1.84Mn0.85Na2.31O24Si8Ti0.60
  • Wyckoff Sequence: 12,j7i4h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.19 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601158

  • 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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