Inorganic Solid Phases

Na0.19(Mg0.08Fe1.60Mn0.14Li0.19)Al4.05Si4.95O18·0.54H2O·0.03CO2 (Na0.2Li0.2Mg0.08Mn0.14Fe1.6Al4.05Si4.95O18[OCO]0.03[H2O]0.54) Crystal Structure

General Information

  • Phase Label(s): Na0.2Li0.2Mg0.08Mn0.14Fe1.6Al4.05Si4.95O18[OCO]0.03[H2O]0.54
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sekaninaite
  • Pearson Symbol: oS132
  • Space Group: 66
  • Phase Prototype: Na0.03(Mg0.96Fe0.04)2Al4.03Si4.97O18[OCO]0.45
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 84 variables; 942 reflections, R = 0.0186; wR = 0.0499
  • Sample Detail(s): sekaninaite sample from Czech Republic, Vysocina Region, Dolni Bory, electron microprobe analysis; Na0.19(Mg0.08Fe1.60Mn0.14Li0.19)Al4.05Si4.95O18[H2O]0.54[CO2]0.03, single crystal (determination of cell parameters), single crystal, 0.12×0.25×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.2Li0.2Mg0.08Mn0.14Fe1.6Al4.05Si4.95O18[OCO]0.03[H2O]0.54
  • Alphabetic Formula: Al4.05Fe1.6[H2O]0.54Li0.2Mg0.08Mn0.14Na0.2O18[OCO]0.03Si4.95
  • Published Formula: Na0.19(Mg0.08Fe1.60Mn0.14Li0.19)Al4.05Si4.95O18·0.54H2O·0.03CO2
  • Refined Formula: Al4C0.03Fe1.75H1.24Li0.18Mg0.07Na0.20O18.68Si5
  • Wyckoff Sequence: 66,m3l6kh2cba
  • Z Formula Units: 4
  • Density: ρ = 2.73 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230849

  • 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