Inorganic Solid Phases

Li14Nd5[Si11N19O5]O2F2 (Li14Nd5Si11N19O7F2) Crystal Structure

General Information

  • Phase Label(s): Li14Nd5Si11N19O7F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP116
  • Space Group: 59
  • Phase Prototype: Li14Ce5Si11N19O5(O0.5F0.5)4
  • Measurement Detail(s): automatic diffractometer; 3936 (determination of cell parameters), automatic diffractometer; STOE IPDS I (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): fluoride, nitride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 144 variables; 1047 reflections; F2 > 2σ(F2), R = 0.0419; wR = 0.0929
  • Sample Detail(s): sample prepared from Si[NH]2, LiN3, CeF3, NdBr3, Li, energy-dispersive X-ray analysis; 10 at.% Nd, 0.7 at.% Ce, 24 at.% Si, 46 at.% N, 21 at.% O, single crystal (determination of cell parameters), single crystal, 0.01×0.04×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li14Nd5Si11N19O7F2
  • Alphabetic Formula: F2Li14N19Nd5O7Si11
  • Published Formula: Li14Nd5[Si11N19O5]O2F2
  • Refined Formula: F2Li14N19Nd5O7Si11
  • Wyckoff Sequence: 59,g6f2e11cb3a3
  • Z Formula Units: 2
  • Density: ρ = 3.88 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_1935868

  • 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