Inorganic Solid Phases

K18[Mn(II)2{Mn(II)(H2O)5Mn(III)3(H2O)(B-β-SiW9O34)(B-β-SiW6O26)}2]·20H2O (K9W15Mn5[SiO4]2O52[H2O]16, T = 150 K) Crystal Structure

General Information

  • Phase Label(s): K9W15Mn5[SiO4]2O52[H2O]16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP520
  • Space Group: 14
  • Phase Prototype: K9W15Mn5[SiO4]2O52[H2O]16
  • Measurement Detail(s): automatic diffractometer; 11562 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini S Ultra (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 150 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 987 variables; 9116 reflections; I > 2σ(I), R = 0.0516; wR = 0.1305
  • Sample Detail(s): sample prepared from K8[γ-SiW10O36][H2O]12, HNO3, (Mn3O(OAc)6(py)3)py, KCl, chemical analysis, thermogravimetry, single crystal (determination of cell parameters), single crystal, 0.0253×0.2653×0.4013 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K9W15Mn5[SiO4]2O52[H2O]16
  • Alphabetic Formula: [H2O]16K9Mn5O52[SiO4]2W15
  • Published Formula: K18[Mn(II)2{Mn(II)(H2O)5Mn(III)3(H2O)(B-β-SiW9O34)(B-β-SiW6O26)}2]·20H2O
  • Refined Formula: H33K5.80Mn4.50O75.50Si2W15
  • Wyckoff Sequence: 14,e130
  • Z Formula Units: 4
  • Density: ρ = 4.09 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_1631331

  • 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