Inorganic Solid Phases

Na1.15La0.85[Nb6Cl12(N3)6](H2O)13 (Na1.15La0.85Nb6[N3]6Cl12[H2O]13) Crystal Structure

General Information

  • Phase Label(s): Na1.15La0.85Nb6[N3]6Cl12[H2O]13
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF816
  • Space Group: 227
  • Phase Prototype: Na(Na0.15La0.85)Nb6[N3]6Cl12[H2O]13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azide, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 45 variables; 388 reflections; F > 4σ(F), R = 0.0636; wR = 0.0883
  • Sample Detail(s): sample prepared from Nb6Cl14, NaN3, NH4Cl, LaCl3[H2O]7, energy-dispersive X-ray analysis; Na1.1(2)La1.0(1)[Nb6.0(3)Cl12.9(5)N19(3)][O]11(1); amounts of [NH4]4([Nb6Cl12][N3]6)[H2O]2, single crystal (determination of cell parameters), single crystal, 0.10×0.14×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.15La0.85Nb6[N3]6Cl12[H2O]13
  • Alphabetic Formula: Cl12[H2O]13La0.85[N3]6Na1.15Nb6
  • Published Formula: Na1.15La0.85[Nb6Cl12(N3)6](H2O)13
  • Refined Formula: Cl12H25.60La0.85N18Na1.15Nb6O12.80
  • Wyckoff Sequence: 227,ihg4f2ec
  • Z Formula Units: 8
  • Density: ρ = 2.69 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1930391

  • 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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