Inorganic Solid Phases

K2Ca(Nb,Ti)4(Si4O12)2(O,OH)4·6H2O (K0.9Na0.4Sr0.5Ca0.7Ti1.4Nb2.6Mn0.15Si8O26.6[OH]1.4[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K0.9Na0.4Sr0.5Ca0.7Ti1.4Nb2.6Mn0.15Si8O26.6[OH]1.4[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gjerdingenite-Ca
  • Pearson Symbol: mS102
  • Space Group: 12
  • Phase Prototype: K0.9Na0.4Sr0.5Ca0.7(Ti0.35Nb0.65)4Mn0.15Si8O26.6[OH]1.4[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Mo Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 112 variables, RP = 0.0274; wRP = 0.0372; RB = 0.0388
  • Sample Detail(s): gjerdingenite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Karnasurt, electron microprobe analysis, thermogravimetry; (K0.93Na0.45Sr0.41Ca0.15Ba0.08)(Ca0.62Mn0.14Fe0.03Zn0.01)(Nb2.51Ti1.52)(Si7.97Al0.03)O24(O2.86[OH]1.14)[H2O]5.67, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.4Sr0.5Ca0.7Ti1.4Nb2.6Mn0.15Si8O26.6[OH]1.4[H2O]6
  • Alphabetic Formula: Ca0.7[H2O]6K0.9Mn0.15Na0.4Nb2.6O26.6[OH]1.4Si8Sr0.5Ti1.4
  • Published Formula: K2Ca(Nb,Ti)4(Si4O12)2(O,OH)4·6H2O
  • Refined Formula: Ba0.06Ca0.72H13.40K0.92Mn0.15Na0.42Nb2.50O34Si8Sr0.38Ti1.50
  • Wyckoff Sequence: 12,j8i5hg2fc
  • Z Formula Units: 2
  • Density: ρ = 2.77 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218155

  • 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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