Inorganic Solid Phases

(Na4.83K4Ba0.66)(Ca8.42Sr1.39)(Ti3.13Nb0.66Mn0.17Fe0.10)Si18O59·nH2O (K4Na4.5Sr2Ca8.5Ti4Mn0.1Fe0.1Si18O55[OH]8[H2O]3) Crystal Structure

General Information

  • Phase Label(s): K4Na4.5Sr2Ca8.5Ti4Mn0.1Fe0.1Si18O55[OH]8[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): yuksporite
  • Pearson Symbol: mP230
  • Space Group: 11
  • Phase Prototype: K4Na4.5Sr2Ca8.5Ti4Mn0.1Fe0.1Si18O55[OH]8[H2O]3
  • Measurement Detail(s): automatic diffractometer; 387 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, synchrotron; λ = 0.080000 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 = 0.101
  • Sample Detail(s): yuksporite sample from, electron microprobe analysis; (Na4.83K4Ba0.66)(Ca8.42Sr1.39)(Ti3.13Nb0.66Mn2+0.17Fe3+0.10)Si18O59[H2O]x, twinned crystal (determination of cell parameters), twinned crystal, 0.006×0.006×0.050 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K4Na4.5Sr2Ca8.5Ti4Mn0.1Fe0.1Si18O55[OH]8[H2O]3
  • Alphabetic Formula: Ca8.5Fe0.1[H2O]3K4Mn0.1Na4.5O55[OH]8Si18Sr2Ti4
  • Published Formula: (Na4.83K4Ba0.66)(Ca8.42Sr1.39)(Ti3.13Nb0.66Mn0.17Fe0.10)Si18O59·nH2O
  • Refined Formula: Ba0.65Ca8.50Fe0.10H13.48K3.75Mn0.15Na5.50Nb0.90O65.74Si18Sr1.40Ti3.10
  • Wyckoff Sequence: 11,f52e11
  • Z Formula Units: 2
  • Density: ρ = 2.86 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_1121502

  • 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

    Citation copied