Inorganic Solid Phases

Na2Fe(SO4)2(OH)(H2O)3 (Na2Fe[SO4]2[OH][H2O]3 mon) Crystal Structure

General Information

  • Phase Label(s): Na2Fe[SO4]2[OH][H2O]3 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sideronatrite MDO2
  • Pearson Symbol: mP68
  • Space Group: 14
  • Phase Prototype: Na2Fe[SO4]2[OH][H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku Saturn 724+ (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): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 178 variables; 2207 reflections; I > 2σ(I), R = 0.0388; wR = 0.0924
  • Sample Detail(s): sideronatrite sample from China, Qinghai Province, Xitieshan, wet chemical analysis; (Na1.83Ca0.04Fe0.04K0.02Mg0.01)(Fe3+0.97Al0.03)(SO4)2(OH)(H2O)3, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Fe[SO4]2[OH][H2O]3
  • Alphabetic Formula: Fe[H2O]3Na2[OH][SO4]2
  • Published Formula: Na2Fe(SO4)2(OH)(H2O)3
  • Refined Formula: FeH7Na2O12S2
  • Wyckoff Sequence: 14,e16ba
  • Z Formula Units: 4
  • Density: ρ = 2.26 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_1237063

  • 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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