Inorganic Solid Phases

(BaK)Na3Ti3(Si2O7)2O2(OH)2 (KNa3BaTi3[Si2O7]2O2[OH]2) Crystal Structure

General Information

  • Phase Label(s): KNa3BaTi3[Si2O7]2O2[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): barytolamprophyllite
  • Pearson Symbol: mS60
  • Space Group: 12
  • Phase Prototype: Na3Sr2Ti3[Si2O7]2O2(O0.5[OH]0.25F0.25)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1185 reflections, R = 0.0287; wR = 0.0744
  • Sample Detail(s): barytolamprophyllite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Yukspor, electron microprobe analysis; (Ba0.88K0.61Sr0.33Ca0.050.13)(Na2.09Fe2+0.30Mn2+0.28Ca0.08Mg0.050.20)(Ti2.91Fe3+0.05Al0.03Nb0.01)(Si2O7)2O2[F0.73(OH)0.70O0.57], single crystal (determination of cell parameters), single crystal, 0.03×0.10×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa3BaTi3[Si2O7]2O2[OH]2
  • Alphabetic Formula: BaKNa3O2[OH]2[Si2O7]2Ti3
  • Published Formula: (BaK)Na3Ti3(Si2O7)2O2(OH)2
  • Refined Formula: Al0.03Ba0.88Ca0.13F0.73Fe0.35H0.70K0.61Mg0.05Mn0.28Na2.09Nb0.01O17.27Si4Sr0.33Ti2.91
  • Wyckoff Sequence: 12,j4i5hba
  • Z Formula Units: 2
  • Density: ρ = 3.45 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_1221642

  • 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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