Inorganic Solid Phases

[NaMn(ox)(N3)(H2O)4] (NaMn[C2O4][N3][H2O]4, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): NaMn[C2O4][N3][H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS76
  • Space Group: 12
  • Phase Prototype: NaMn[C2O4][N3][H2O]4
  • Measurement Detail(s): automatic diffractometer; 44 (determination of cell parameters), automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, azide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 103 variables; 1507 reflections; I > 2σ(I), R = 0.0451; wR = 0.1276
  • Sample Detail(s): sample prepared from NaN3, L-ascorbic acid, 3-ethylpyridine, Mn[NO3]2[H2O]4, chemical analysis; 8.68 wt.% C, 2.63 wt.% H, 15.21 wt.% N, 19.49 wt.% Mn, single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaMn[C2O4][N3][H2O]4
  • Alphabetic Formula: [C2O4][H2O]4Mn[N3]Na
  • Published Formula: [NaMn(ox)(N3)(H2O)4]
  • Refined Formula: C2H8MnN3NaO8
  • Wyckoff Sequence: 12,j5i8g
  • Z Formula Units: 4
  • Density: ρ = 1.74 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_1628095

  • 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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