Inorganic Solid Phases

Nd10(Si10O9N17)Br (Nd10Si10BrN17O9) Crystal Structure

General Information

  • Phase Label(s): Nd10Si10BrN17O9
  • 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): bromide, nitride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 122 variables; 1823 reflections; I > 2σ(I), R = 0.0206; wR = 0.0512
  • Sample Detail(s): sample prepared from Nd, Si[NH]2, NdBr3, Nd2O3, CsBr, chemical analysis, electron microprobe analysis; 66.23 wt.% Nd, 13.22 wt.% Si, 6.86 wt.% O, 11.35 wt.% N, 3.69 wt.% Br; other phases: Nd3Si6N11, Nd2Si3O3N4 and Nd4Si2O7N2 as crystalline by-products, single crystal (determination of cell parameters), single crystal, 0.075×0.111×0.144 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Nd10Si10BrN17O9
  • Alphabetic Formula: BrN17Nd10O9Si10
  • Published Formula: Nd10(Si10O9N17)Br
  • Refined Formula: Br0.99N17Nd10O9Si10
  • Wyckoff Sequence: 55,i8h3g4e
  • Z Formula Units: 2
  • Density: ρ = 5.38 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1210499

  • 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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