Inorganic Solid Phases

(BaNa)Na3Ti3(Si2O7)2O2(OH)2; (Ba0.87Sr0.47Na0.28K0.20Ca0.020.16)(Na2.56Mn2+0.40Mg0.04)(Ti2.81Fe3+0.11Nb0.04Al0.03)(Si2O7)2O2[(OH)0.89F0.65O0.46] (K0.11Na1.44Ba0.44Sr0.24Ti1.48Mn0.2[Si2O7]O1.23[OH]0.445F0.325) Crystal Structure

General Information

  • Phase Label(s): K0.11Na1.44Ba0.44Sr0.24Ti1.48Mn0.2[Si2O7]O1.23[OH]0.445F0.325
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nabalamprophyllite
  • Pearson Symbol: oP60
  • Space Group: 58
  • Phase Prototype: (Ba0.7Sr0.3)(Ti0.1Fe0.9)(Mn0.7Fe0.3)2[Si2O7]O1.39[OH]0.61
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 669 reflections; F > 4σ(F), R = 0.051
  • Sample Detail(s): nabalamprophyllite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Karnasurt, electron microprobe analysis; (Ba0.87Sr0.47Na0.28K0.20Ca0.020.16)(Na2.56Mn2+0.40Mg0.04)(Ti2.81Fe3+0.11Nb0.04Al0.03)(Si2O7)2O2[(OH)0.89F0.65O0.46], single crystal (determination of cell parameters), single crystal, 0.15×0.60×0.80 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.11Na1.44Ba0.44Sr0.24Ti1.48Mn0.2[Si2O7]O1.23[OH]0.445F0.325
  • Alphabetic Formula: Ba0.44F0.325K0.11Mn0.2Na1.44O1.23[OH]0.445[Si2O7]Sr0.24Ti1.48
  • Published Formula: (BaNa)Na3Ti3(Si2O7)2O2(OH)2; (Ba0.87Sr0.47Na0.28K0.20Ca0.020.16)(Na2.56Mn2+0.40Mg0.04)(Ti2.81Fe3+0.11Nb0.04Al0.03)(Si2O7)2O2[(OH)0.89F0.65O0.46]
  • Refined Formula: Al0.02Ba0.44Ca0.01F0.33Fe0.05H0.44K0.10Mg0.02Mn0.20Na1.42Nb0.02O8.67Si2Sr0.23Ti1.41
  • Wyckoff Sequence: 58,h4g5fba
  • Z Formula Units: 4
  • Density: ρ = 3.54 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_1221721

  • 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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