Inorganic Solid Phases

gjerdingenite-Mn; (K,Na)2(Mn,Fe)[(Nb,Ti)4(Si4O12)2(O,OH)4]·6H2O (K1.2Na0.8Ti1.4Nb2.6Mn0.6Fe0.4Si8O26.6[OH]1.4[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K1.2Na0.8Ti1.4Nb2.6Mn0.6Fe0.4Si8O26.6[OH]1.4[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gjerdingenite-Mn
  • Pearson Symbol: mS102
  • Space Group: 12
  • Phase Prototype: K1.2Na0.8(Ti0.35Nb0.65)4(Mn0.6Fe0.4)Si8O26(O0.3[OH]0.7)2[H2O]6
  • Measurement Detail(s): automatic diffractometer; 2063 (determination of cell parameters), automatic diffractometer; Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 134 variables; 1207 reflections; F > 4σ(F), R = 0.079; wR = 0.183
  • Sample Detail(s): gjerdingenite sample from Norway, Oslo Region, Oppland, Lunner, Gjerdingselva, electron microprobe analysis; (K2.5Na1.66Ba0.16Ca0.02)(Mn2+0.88Fe2+0.75Zn0.36Mg0.23)[(Nb5.18Ti2.55)(Si4O12)4(O,OH)8][H2O]x, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.2Na0.8Ti1.4Nb2.6Mn0.6Fe0.4Si8O26.6[OH]1.4[H2O]6
  • Alphabetic Formula: Fe0.4[H2O]6K1.2Mn0.6Na0.8Nb2.6O26.6[OH]1.4Si8Ti1.4
  • Published Formula: gjerdingenite-Mn; (K,Na)2(Mn,Fe)[(Nb,Ti)4(Si4O12)2(O,OH)4]·6H2O
  • Refined Formula: Fe0.41H15.12K1.88Mn0.61Nb2.51O33.56Si8Ti1.49
  • Wyckoff Sequence: 12,j8i5h2gea
  • Z Formula Units: 2
  • Density: ρ = 2.84 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]

Powder Pattern

published defraction line
d [Å]
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_1121539

  • 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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