Inorganic Solid Phases

K0.93Na0.3Mg4.31Ti0.01Fe0.68Al0.02Si11.98O30 Crystal Structure

General Information

  • Phase Label(s): K0.93Na0.3Mg4.31Ti0.01Fe0.68Al0.02Si11.98O30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): roedderite
  • Pearson Symbol: hP100
  • Space Group: 192
  • Phase Prototype: K2Mg5Si12O30
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 612 reflections, R = 0.026
  • Sample Detail(s): roedderite sample from Spain, Albacete, Sierra las Cabras, electron microprobe analysis; 70.68 wt.% SiO2, 17.07 wt.% MgO, 5.36 wt.% Fe2O3, 4.31 wt.% K2O, 0.92 wt.% Na2O, 0.12 wt.% Al2O3, 0.11 wt.% TiO2, 0.06 wt.% BaO, 0.03 wt.% MnO, 0.02 wt.% CaO, single crystal (determination of cell parameters), single crystal, 0.17×0.22×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.93Na0.3Mg4.31Ti0.01Fe0.68Al0.02Si11.98O30
  • Alphabetic Formula: Al0.02Fe0.68K0.93Mg4.31Na0.3O30Si11.98Ti0.01
  • Published Formula: K0.93Na0.3Mg4.31Ti0.01Fe0.68Al0.02Si11.98O30
  • Refined Formula: Al0.02Fe0.68K0.93Mg4.31Na0.30O30Si11.98Ti0.01
  • Wyckoff Sequence: 192,m3lfdca
  • Z Formula Units: 2
  • Density: ρ = 2.62 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813185

  • 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