Inorganic Solid Phases

NH4FeP2O7 ([NH4]Fe[P2O7]) Crystal Structure

General Information

  • Phase Label(s): [NH4]Fe[P2O7]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP44
  • Space Group: 14
  • Phase Prototype: KAl[P2O7]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diphosphate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase; 58 variables, RP = 0.1412; wRP = 0.1841; RB = 0.1769
  • Sample Detail(s): sample prepared from NH4Fe[HPO4]2, chemical analysis; 22.7 wt.% Fe, 24.8 wt.% P, 5.3 wt.% N; trace amounts of Fe3O4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [NH4]Fe[P2O7]
  • Alphabetic Formula: Fe[NH4][P2O7]
  • Published Formula: NH4FeP2O7
  • Refined Formula: FeH4NO7P2
  • Wyckoff Sequence: 14,e11
  • Z Formula Units: 4
  • Density: ρ = 2.75 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_1126173

  • 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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