Inorganic Solid Phases

(Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8·12H2O (K0.5Na1.5CaTi2.64Nb1.36Si8O25.36[OH]2.64[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K0.5Na1.5CaTi2.64Nb1.36Si8O25.36[OH]2.64[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): burovaite-Ca
  • Pearson Symbol: mS110
  • Space Group: 12
  • Phase Prototype: K0.5Na1.5CaTi2.64Nb1.36Si8O25.36[OH]2.64[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 4σ(F), R = 0.0507; wR = 0.1529
  • Sample Detail(s): burovaite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Khibinpakhchorr, electron microprobe analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.5Na1.5CaTi2.64Nb1.36Si8O25.36[OH]2.64[H2O]6
  • Alphabetic Formula: Ca[H2O]6K0.5Na1.5Nb1.36O25.36[OH]2.64Si8Ti2.64
  • Published Formula: (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8·12H2O
  • Refined Formula: Ba0.02Ca0.89H12.87K1.35Na1.63Nb1.12O34.44Si8Sr0.04Ti2.88
  • Wyckoff Sequence: 12,j10i4hgea
  • Z Formula Units: 2
  • Density: ρ = 2.59 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_1629665

  • 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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