Inorganic Solid Phases

NaFeBa2(Ce)2Ti2Si8O26(OH)·H2O monoclinic (NaBa2Ce2Ti2FeSi8O26[OH][H2O]) Crystal Structure

General Information

  • Phase Label(s): NaBa2Ce2Ti2FeSi8O26[OH][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS88
  • Space Group: 5
  • Phase Prototype: (Na0.5Fe0.5)2Ba2Ce2Ti2Si8O26[OH][H2O]
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of 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; 2244 reflections, R = 0.086; wR = 0.075
  • Sample Detail(s): joaquinite sample from U.S.A. California, San Benito County, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaBa2Ce2Ti2FeSi8O26[OH][H2O]
  • Alphabetic Formula: Ba2Ce2Fe[H2O]NaO26[OH]Si8Ti2
  • Published Formula: NaFeBa2(Ce)2Ti2Si8O26(OH)·H2O monoclinic
  • Refined Formula: Ba2Ce2Fe1.04H3Na0.96O28Si8Ti2
  • Wyckoff Sequence: 5,c19b3a3
  • Z Formula Units: 2
  • Density: ρ = 4.11 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2042063

  • 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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