Inorganic Solid Phases

(Ca1.10K0.55Na0.50Sr0.34Ba0.27Mn0.03Zn0.02Fe0.01)(Ti3.21Nb0.80)(Si7.99Al0.01)O24[(OH)2.58O1.42]·7.35H2O (K0.4Na0.2Ba0.15Sr0.65Ca0.2Ti2.8Nb1.2Si8O23.8[OH]4.2[H2O]4.55) Crystal Structure

General Information

  • Phase Label(s): K0.4Na0.2Ba0.15Sr0.65Ca0.2Ti2.8Nb1.2Si8O23.8[OH]4.2[H2O]4.55
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tsepinite-Sr
  • Pearson Symbol: mS128
  • Space Group: 8
  • Phase Prototype: K0.4Na0.2Ba0.15Sr0.65Ca0.2Ti2.8Nb1.2Si8O23.8[OH]4.2[H2O]4.55
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 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 on F2; 154 variables; 1559 reflections; I > 2σ(I), R = 0.11
  • Sample Detail(s): tsepinite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Yukspor, Hackman Valley, electron microprobe analysis; (Ca1.10K0.55Na0.50Sr0.34Ba0.27Mn0.03Zn0.02Fe0.01)(Ti3.21Nb0.80)(Si7.99Al0.01)O24([OH]2.58O1.42)[H2O]7.35, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.56Na0.5Ba0.3Sr0.36Ca1.1Ti3.21Nb0.8Si8O25.42[OH]2.58[H2O]7.35
  • Alphabetic Formula: Ba0.3Ca1.1[H2O]7.35K0.56Na0.5Nb0.8O25.42[OH]2.58Si8Sr0.36Ti3.21
  • Published Formula: (Ca1.10K0.55Na0.50Sr0.34Ba0.27Mn0.03Zn0.02Fe0.01)(Ti3.21Nb0.80)(Si7.99Al0.01)O24[(OH)2.58O1.42]·7.35H2O
  • Refined Formula: Ba0.27Ca1.11Fe0.01H16.56K0.56Mn0.02Na0.70Nb0.80O35.06Si8Sr0.33Ti3.20Zn0.02
  • Wyckoff Sequence: 12,j11i5h2gea
  • Z Formula Units: 2
  • Density: ρ = 2.73 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]

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_1220883

  • 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