Inorganic Solid Phases

(Na2.293K0.169)(Ti4+3.386Fe3+0.471Mg0.029Nb0.034)(Si6.626Al1.098Be0.276)O22[OH]4[H2O]1.6 (K0.169Na2.293Be0.276Ti3.4Nb0.035Fe0.471Al1.098Si6.626O22[OH]4[H2O]1.6) Crystal Structure

General Information

  • Phase Label(s): K0.169Na2.293Be0.276Ti3.4Nb0.035Fe0.471Al1.098Si6.626O22[OH]4[H2O]1.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): paravinogradovite
  • Pearson Symbol: aP49
  • Space Group: 1
  • Phase Prototype: K0.169Na2.293Be0.276Ti3.4Nb0.035Fe0.471Al1.098Si6.626O22[OH]4[H2O]1.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 418 variables; 4373 reflections; F > 4σ(F), R = 0.0445; wR = 0.1091
  • Sample Detail(s): paravinogradovite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Kukisvumchorr, electron microprobe analysis; (Na2.293K0.169)(Ti4+3.386Fe3+0.471Mg0.029Nb0.034)(Si6.626Al1.098Be0.276)O22[OH]4[H2O]1.6, single crystal (determination of cell parameters), single crystal, 0.02×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.169Na2.293Be0.276Ti3.4Nb0.035Fe0.471Al1.098Si6.626O22[OH]4[H2O]1.6
  • Alphabetic Formula: Al1.098Be0.276Fe0.471[H2O]1.6K0.169Na2.293Nb0.035O22[OH]4Si6.626Ti3.4
  • Published Formula: (Na2.293K0.169)(Ti4+3.386Fe3+0.471Mg0.029Nb0.034)(Si6.626Al1.098Be0.276)O22[OH]4[H2O]1.6
  • Refined Formula: Al1.10Be0.30Fe0.48H6.34K0.13Na2.07O27.17Si6.60Ti3.52
  • Wyckoff Sequence: 1,a49
  • Z Formula Units: 1
  • Density: ρ = 2.79 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220843

  • 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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