Inorganic Solid Phases

H7[Mn4(H2O)11V18O42(PO4)]; H37Mn4O61PV18 (H7V18Mn4[PO4]O42[H2O]15) Crystal Structure

General Information

  • Phase Label(s): H7V18Mn4[PO4]O42[H2O]15
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI1472
  • Space Group: 142
  • Phase Prototype: H7V18Mn4[PO4]O42[H2O]15
  • Measurement Detail(s): automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of 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; 403 variables; 3103 reflections; I > 2σ(I), R = 0.0626; wR = 0.2128
  • Sample Detail(s): sample prepared from NH4VO4, MnCl2[H2O]4, L-proline, 1,2-diaminpropane, H3PO4, chemical analysis, thermogravimetry; Mn/V/P ratio 9.98/42.26/1.34; 10.50 wt.%, 15 H2O molecules, single crystal, 0.08×0.12×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H7V18Mn4[PO4]O42[H2O]15
  • Alphabetic Formula: [H2O]15H7[PO4]Mn4O42V18
  • Published Formula: H7[Mn4(H2O)11V18O42(PO4)]; H37Mn4O61PV18
  • Refined Formula: H30Mn4O61PV18
  • Wyckoff Sequence: 142,g43e5d
  • Z Formula Units: 16
  • Density: ρ = 2.81 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_1530511

  • 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