Inorganic Solid Phases

Na5(NH4)16[Mo57Mn6(NO)6O174(OH)3(H2O)24]·44H2O (Na5[NH4]16Mo57Mn6O174[OH]3[NO]6[H2O]68) Crystal Structure

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General Information

  • Phase Label(s): Na5[NH4]16Mo57Mn6O174[OH]3[NO]6[H2O]68
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS1476
  • Space Group: 63
  • Phase Prototype: Na5[NH4]16Mo57Mn6O174[OH]3[NO]6[H2O]68
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2, R = 0.1266; wR = 0.3291
  • Sample Detail(s): sample prepared from Na2MoO4[H2O], Mn(CH3COO)2[H2O]4, chemical analysis; 1.93 wt.% H, 3.15 wt.% Mn, 52.5 wt.% Mo, 2.96 wt.% N, 1.33 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.20×0.23×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na5[NH4]16Mo57Mn6O174[OH]3[NO]6[H2O]68
  • Alphabetic Formula: [H2O]68Mn6Mo57[NH4]16[NO]6Na5O174[OH]3
  • Published Formula: Na5(NH4)16[Mo57Mn6(NO)6O174(OH)3(H2O)24]·44H2O
  • Refined Formula: H175.20Mn6Mo57N21.80Na5O251
  • Wyckoff Sequence: 63,h69g22f21c7
  • Z Formula Units: 4
  • Density: ρ = 2.67 Mg·m−3
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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_1218617

  • 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)

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