Inorganic Solid Phases

(Na,K)3(Fe2+,Fe3+,☐)10[Ti2(Si,Fe3+,Al)12O37](OH,O)6 (K0.5Na2.5Ti2Fe8.6Al0.4Si11O37[OH]6) Crystal Structure

General Information

  • Phase Label(s): K0.5Na2.5Ti2Fe8.6Al0.4Si11O37[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nafertisite
  • Pearson Symbol: mS144
  • Space Group: 12
  • Phase Prototype: (K0.2Na0.8)3Ti2Fe8(Fe0.05Al0.03Si0.92)12O37[OH]6
  • Measurement Detail(s): Guinier-Lenné film; 33 (determination of cell parameters), automatic diffractometer; Ital Structures (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 78 variables; 491 reflections; F > 2σ(F), R = 0.26
  • Sample Detail(s): nafertisite sample from Russia, Kola Peninsula, Khibiny massif, chemical analysis; (Na2.47K0.56)(Fe2+4.68Fe3+1.67Mg0.51Mn0.18)(Ti1.67Nb0.04)(Si10.36Al0.40Fe3+1.24)O36.03[H2O]6.97 for a different sample of from the same locality, powder (determination of cell parameters), single crystal, 0.02×0.03×0.72 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.5Na2.5Ti2Fe8.6Al0.4Si11O37[OH]6
  • Alphabetic Formula: Al0.4Fe8.6K0.5Na2.5O37[OH]6Si11Ti2
  • Published Formula: (Na,K)3(Fe2+,Fe3+,☐)10[Ti2(Si,Fe3+,Al)12O37](OH,O)6
  • Refined Formula: Fe8H6Na3O43Si12Ti2
  • Wyckoff Sequence: 12,j14i5g2ca
  • Z Formula Units: 2
  • Density: ρ = 2.92 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]

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_1618184

  • 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

    Citation copied