Inorganic Solid Phases

oxybiotite-2M1; (K,Na,Ba)(Mg,Fe3+,Ti,Al,Fe2+,Mn)3(Si,Al)4O10(O,F,OH)2 (K0.78Na0.22Mg1.65Ti0.5Fe0.85Al1.16Si2.84O10.84[OH]1.16) Crystal Structure

General Information

  • Phase Label(s): K0.78Na0.22Mg1.65Ti0.5Fe0.85Al1.16Si2.84O10.84[OH]1.16
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite/phlogopite 2M1
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: NaAl2(Al0.25Si0.75)4O10[OH]2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1676 reflections; I > 2σ(I), R = 0.039; wR = 0.045
  • Sample Detail(s): oxybiotite sample from U.S.A. New Mexico, Ruiz Peak, chemical analysis; (K0.773Na0.162Ba0.022)(Mg1.666Fe2+0.013Fe3+0.855Mn0.010Ti0.342Al0.163)(Al1.159Si2.841)O11.620F0.168[OH]0.212 (different sample from the same locality), single crystal (determination of cell parameters), single crystal, 0.07×0.25×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na0.2Mg1.7Ti0.3Fe0.9Al1.4Si2.8O11[OH]
  • Alphabetic Formula: Al1.4Fe0.9K0.8Mg1.7Na0.2O11[OH]Si2.8Ti0.3
  • Published Formula: oxybiotite-2M1; (K,Na,Ba)(Mg,Fe3+,Ti,Al,Fe2+,Mn)3(Si,Al)4O10(O,F,OH)2
  • Refined Formula: Al1.32Fe0.86HK0.80Mg1.64Na0.20O12Si2.84Ti0.34
  • Wyckoff Sequence: 15,f9ed
  • Z Formula Units: 4
  • Density: ρ = 3.08 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_1615982

  • 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