Inorganic Solid Phases

(NH3OH)2MnF4 ([NH3OH]2MnF4) Crystal Structure

General Information

  • Phase Label(s): [NH3OH]2MnF4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP18
  • Space Group: 14
  • Phase Prototype: [NH3OH]2CuF4
  • Measurement Detail(s): automatic diffractometer; 895 (determination of cell parameters), automatic diffractometer; Agilent Technologies SuperNova (determination of structural parameters), X-rays, Cu Kα; λ = 0.154184 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 44 variables; 543 reflections; F2 > 2σ(F2), R = 0.0325; wR = 0.0916
  • Sample Detail(s): sample prepared from Mn2O3, HF, NH3OHF, single crystal (determination of cell parameters), single crystal, 0.04×0.30×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH3OH]2MnF4
  • Alphabetic Formula: F4Mn[NH3OH]2
  • Published Formula: (NH3OH)2MnF4
  • Refined Formula: F4H8MnN2O2
  • Wyckoff Sequence: 14,e4c
  • Z Formula Units: 2
  • Density: ρ = 2.34 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_1643011

  • 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