Inorganic Solid Phases

Pr10[Si10−xAlxO9+xN17−x]Cl, x ≈ 1 (Pr10AlSi9N16ClO10) Crystal Structure

General Information

  • Phase Label(s): Pr10AlSi9N16ClO10
  • 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 STADI (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, nitride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 122 variables; 2222 reflections; I > 2σ(I), R = 0.0305; wR = 0.0763
  • Sample Detail(s): sample prepared from AlN, Pr, "Si(NH)2", PrCl3, Al2O3, electron microprobe analysis; Al2.31Cl2.13N34.86O21.06Pr21.05Si18.59; trace amounts of Pr2Si2.5Al0.5O3.5N3.5, Pr3Si6N11, Pr4Si2O7N2, amorphous phase, single crystal (determination of cell parameters), single crystal, 0.148×0.167×0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pr10AlSi9N16ClO10
  • Alphabetic Formula: AlClN16O10Pr10Si9
  • Published Formula: Pr10[Si10−xAlxO9+xN17−x]Cl, x ≈ 1
  • Refined Formula: AlCl0.96N16.04O9.96Pr10Si9
  • Wyckoff Sequence: 55,i8h3g4e
  • Z Formula Units: 2
  • Density: ρ = 5.09 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_1910126

  • 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