Inorganic Solid Phases

K3Na8Fe(SO4)6(NO3)2·6H2O rhombohedral (K3Na8Fe[SO4]6[NO3]2[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K3Na8Fe[SO4]6[NO3]2[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ungemachite
  • Pearson Symbol: hR168
  • Space Group: 148
  • Phase Prototype: K3Na8Fe[SO4]6[NO3]2[H2O]6
  • Measurement Detail(s): 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1421 reflections; F > 4σ(F), R = 0.039; wR = 0.041
  • Sample Detail(s): ungemachite sample from Chile, Atacama, Chuquicamata mine, single crystal (determination of cell parameters), single crystal, 0.29×0.15×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Na8Fe[SO4]6[NO3]2[H2O]6
  • Alphabetic Formula: Fe[H2O]6K3[NO3]2Na8[SO4]6
  • Published Formula: K3Na8Fe(SO4)6(NO3)2·6H2O rhombohedral
  • Refined Formula: FeH12K3N2Na8O36S6
  • Wyckoff Sequence: 148,f8ec2a
  • Z Formula Units: 3
  • 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_2041525

  • 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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