Inorganic Solid Phases

(NH4)2Mn3(H2O)4[Mo(CN)7]2·nH2O (n= 5) ([NH4]2Mo2Mn3[CN]14[H2O]9, T = 180 K) Crystal Structure

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General Information

  • Phase Label(s): [NH4]2Mo2Mn3[CN]14[H2O]9
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS90
  • Space Group: 12
  • Phase Prototype: [NH4]2Mo2Mn3[CN]14[H2O]9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 180 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 118 variables; I > 2σ(I), R = 0.0255; wR = 0.0699
  • Sample Detail(s): sample prepared from K4Mo[CN]7[H2O]2, Mn[H2O]6[NO3]2, NH4NO3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [NH4]2Mo2Mn3[CN]14[H2O]9
  • Alphabetic Formula: [CN]14[H2O]9Mn3Mo2[NH4]2
  • Published Formula: (NH4)2Mn3(H2O)4[Mo(CN)7]2·nH2O (n= 5)
  • Refined Formula: C14H26Mn3Mo2N16O9
  • Wyckoff Sequence: 12,j6i9hb
  • Z Formula Units: 2
  • Density: ρ = 1.97 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_1322461

  • 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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