Inorganic Solid Phases

(NH4)4Li2[V10O28]·10H2O (Li[NH4]2V5O14[H2O]5) Crystal Structure

General Information

  • Phase Label(s): Li[NH4]2V5O14[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP54
  • Space Group: 2
  • Phase Prototype: Na[NH4]2(V0.8Mo0.2)5O14[H2O]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 298 variables; 3628 reflections; I > 2σ(I), R = 0.030; wR = 0.093
  • Sample Detail(s): sample prepared from NH4VO3, LiNO3, single crystal (determination of cell parameters), single crystal, 0.14×0.29×0.58 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li[NH4]2V5O14[H2O]5
  • Alphabetic Formula: [H2O]5Li[NH4]2O14V5
  • Published Formula: (NH4)4Li2[V10O28]·10H2O
  • Refined Formula: H18LiN2O19V5
  • Wyckoff Sequence: 2,i27
  • Z Formula Units: 2
  • Density: ρ = 2.44 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_1813704

  • 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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