Inorganic Solid Phases

Ce10(Si10O9N17)Br (Ce10Si10BrN17O9) Crystal Structure

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General Information

  • Phase Label(s): Ce10Si10BrN17O9
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP96
  • Space Group: 55
  • Phase Prototype: Ce10Si10BrN14(N0.25O0.75)12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, bromide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 122 variables; 1919 reflections; I > 2σ(I), R = 0.0308; wR = 0.0782
  • Sample Detail(s): sample prepared from Ce, Si[NH]2, CeBr3, CeO2, CsBr, chemical analysis, electron microprobe analysis; 67.12 wt.% Ce, 13.30 wt.% Si, 6.62 wt.% O, 11.34 wt.% N, 3.96 wt.% Br; other phases: Ce3Si6N11, Ce2Si3O3N4 and Ce4Si2O7N2 as crystalline by-products, single crystal (determination of cell parameters), single crystal, 0.159×0.162×0.299 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ce10Si10BrN17O9
  • Alphabetic Formula: BrCe10N17O9Si10
  • Published Formula: Ce10(Si10O9N17)Br
  • Refined Formula: Br0.98Ce10N17O9Si10
  • Wyckoff Sequence: 55,i8h3g4e
  • Z Formula Units: 2
  • Density: ρ = 5.14 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1210498

  • 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)

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