Inorganic Solid Phases

(NH4)9[Fe(SO3)6] ([NH4]9Fe[SO3]6) Crystal Structure

General Information

  • Phase Label(s): [NH4]9Fe[SO3]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP34
  • Space Group: 147
  • Phase Prototype: [NH4]9Fe[SO3]6
  • Measurement Detail(s): Guinier-Hägg film (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154050 nm (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 298 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): sulfite
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 390 reflections; F > 0.25σ(F), R = 0.053
  • Sample Detail(s): powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]9Fe[SO3]6
  • Alphabetic Formula: Fe[NH4]9[SO3]6
  • Published Formula: (NH4)9[Fe(SO3)6]
  • Refined Formula: FeH36N9O18S6
  • Wyckoff Sequence: 147,g5dba
  • Z Formula Units: 1
  • Density: ρ = 1.78 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Powder Pattern

published defraction line
sin2(θ) [10−5]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1815027

  • 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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