Inorganic Solid Phases

(NH4)11[Lu(PMo11O39)2]·16H2O ([NH4]11LuMo22[PO4]2O70[H2O]16) Crystal Structure

General Information

  • Phase Label(s): [NH4]11LuMo22[PO4]2O70[H2O]16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS532
  • Space Group: 15
  • Phase Prototype: [NH4]11CeMo22[PO4]2O70[H2O]17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS (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): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 601 variables; 7134 reflections; I > 2σ(I), R = 0.0347; wR = 0.0938
  • Sample Detail(s): sample prepared from H3PMo12O40, Lu[NO3]3[H2O]6, [NH4]Cl, elemental analysis; 50.35 wt.% Mo, 3.94 wt.% Lu, 3.65 wt.% N, 2.03 wt.% H, 1.59 wt.% P, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]11LuMo22[PO4]2O70[H2O]16
  • Alphabetic Formula: [H2O]16LuMo22[NH4]11O70[PO4]2
  • Published Formula: (NH4)11[Lu(PMo11O39)2]·16H2O
  • Refined Formula: H76LuMo22N11O94P2
  • Wyckoff Sequence: 15,f66e
  • Z Formula Units: 4
  • Density: ρ = 3.15 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_1820629

  • 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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