Inorganic Solid Phases

(Ba1.92K0.08)(Na1.33K0.18Fe2+0.05Mn2+0.021.42)(Ti2.70Fe3+0.12Nb0.13Al0.05)(Si2O7)2[(OH)1.34F0.66](H2O)1.70 (K0.26Na1.33Ba1.92Ti2.7Nb0.13Fe0.24[Si2O7]2O1.53[OH]1.81F0.66[H2O]1.7) Crystal Structure

General Information

  • Phase Label(s): K0.26Na1.33Ba1.92Ti2.7Nb0.13Fe0.24[Si2O7]2O1.53[OH]1.81F0.66[H2O]1.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): delindeite
  • Pearson Symbol: mS308
  • Space Group: 15
  • Phase Prototype: K0.26Na1.33Ba1.92Ti2.7Nb0.13Fe0.24[Si2O7]2O1.53[OH]1.81F0.66[H2O]1.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, fluoride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 3559 reflections; F > 4σ(F), R = 0.0637
  • Sample Detail(s): delindeite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Yukspor, electron microprobe analysis; (Ba1.92K0.08)(Na1.33K0.18Fe2+0.05Mn2+0.021.42)(Ti2.70Fe3+0.12Nb0.13Al0.05)(Si2O7)2([OH]1.34F0.66)[H2O]1.70, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.26Na1.33Ba1.92Ti2.7Nb0.13Fe0.24[Si2O7]2O1.53[OH]1.81F0.66[H2O]1.7
  • Alphabetic Formula: Ba1.92F0.66Fe0.24[H2O]1.7K0.26Na1.33Nb0.13O1.53[OH]1.81[Si2O7]2Ti2.7
  • Published Formula: (Ba1.92K0.08)(Na1.33K0.18Fe2+0.05Mn2+0.021.42)(Ti2.70Fe3+0.12Nb0.13Al0.05)(Si2O7)2[(OH)1.34F0.66](H2O)1.70
  • Refined Formula: Al0.05Ba1.96F0.66Fe0.17H5.20K0.26Mn0.02Na1.36Nb0.13O19.04Si4Ti2.90
  • Wyckoff Sequence: 15,f36e5
  • Z Formula Units: 8
  • Density: ρ = 3.75 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_1217274

  • 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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