Inorganic Solid Phases

Na0.02K0.95Ba0.01Al0.18Fe3+0.15Fe2+0.03Mg2.63Ti0.01Al1.4Si2.6O9.93[OH]1.96F0.11 (K0.95Na0.02Ba0.01Mg2.63Fe0.19Al1.58Si2.60O9.93[OH]1.96F0.11) Crystal Structure

General Information

  • Phase Label(s): K0.95Na0.02Ba0.01Mg2.63Fe0.19Al1.58Si2.60O9.93[OH]1.96F0.11
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): phlogopite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 675 reflections; I > 5σ(I), R = 0.029
  • Sample Detail(s): phlogopite sample from Italy, Alps, Trentino-Alto Adige, Predazzo, Canzoccoli, chemical analysis, electron microprobe analysis; 36.78 wt.% SiO2, 25.03 wt.% MgO, 19.0 wt.% Al2O3, 10.49 wt.% K2O, 4.15 wt.% H2O, 2.78 wt.% Fe2O3, 0.53 wt.% BaO, 0.50 wt.% FeO, 0.47 wt.% F, 0.14 wt.% Na2O, 0.12 wt.% TiO2, single crystal (determination of cell parameters), single crystal, 0.05×0.18×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.95Na0.02Ba0.01Mg2.63Fe0.19Al1.58Si2.60O9.93[OH]1.96F0.11
  • Alphabetic Formula: Al1.58Ba0.01F0.11Fe0.19K0.95Mg2.63Na0.02O9.93[OH]1.96Si2.60
  • Published Formula: Na0.02K0.95Ba0.01Al0.18Fe3+0.15Fe2+0.03Mg2.63Ti0.01Al1.4Si2.6O9.93[OH]1.96F0.11
  • Refined Formula: Al1.58Ba0.01F0.10Fe0.18H1.90K0.95Mg2.64Na0.02O11.90Si2.60
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.85 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813174

  • 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