Inorganic Solid Phases

Na4[Mn(NCS)6]·13H2O (Na4Mn[SCN]6[H2O]13) Crystal Structure

General Information

  • Phase Label(s): Na4Mn[SCN]6[H2O]13
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP39
  • Space Group: 2
  • Phase Prototype: Na4Mn[SCN]6[H2O]13
  • Measurement Detail(s): automatic diffractometer; 76 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): thiocyanate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 227 variables; I > 2σ(I)
  • Sample Detail(s): sample prepared from Ba[SCN]2[H2O]3, MnSO4[H2O]4, NaSCN, chemical analysis; 12.53 wt.% Na, 7.59 wt.% Mn, 47.43 wt.% SCN, single crystal (determination of cell parameters), single crystal, 0.34×0.34×0.46 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Mn[SCN]6[H2O]13
  • Alphabetic Formula: [H2O]13MnNa4[SCN]6
  • Published Formula: Na4[Mn(NCS)6]·13H2O
  • Refined Formula: C6H26MnN6Na4O13S6
  • Wyckoff Sequence: 2,i19e
  • Z Formula Units: 1
  • Density: ρ = 1.57 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1923487

  • 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