Inorganic Solid Phases

(H3O)14[Mn4(C2O4)3(V10B28O74H8)]·32H2O (H8[H3O]14V10Mn4B28[C2O4]3O74[H2O]32) Crystal Structure

General Information

  • Phase Label(s): H8[H3O]14V10Mn4B28[C2O4]3O74[H2O]32
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP408
  • Space Group: 136
  • Phase Prototype: H8[H3O]14V10Mn4B28[C2O4]3O74[H2O]32
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, borate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 188 variables, R = 0.0473; wR = 0.1373
  • Sample Detail(s): sample prepared from Mn(OAc)2, V2O5, H3BO3, C2O4H2, H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H8[H3O]14V10Mn4B28[C2O4]3O74[H2O]32
  • Alphabetic Formula: B28[C2O4]3H8[H2O]32[H3O]14Mn4O74V10
  • Published Formula: (H3O)14[Mn4(C2O4)3(V10B28O74H8)]·32H2O
  • Refined Formula: B28C6H36Mn4O100V10
  • Wyckoff Sequence: 136,k16j14i4f2
  • Z Formula Units: 2
  • Density: ρ = 1.92 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_1420200

  • 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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