Inorganic Solid Phases

(K0.848Na0.163Ba0.04)(Mg1.822Al0.146Fe3+0.642Ti0.39)(Si2.908Al1.092)O11.516F0.117(OH)0.367 (K0.85Na0.17Mg1.82Ti0.4Fe0.64Al1.24Si2.9O11.5[OH]0.4F0.1) Crystal Structure

General Information

  • Phase Label(s): K0.85Na0.17Mg1.82Ti0.4Fe0.64Al1.24Si2.9O11.5[OH]0.4F0.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): phlogopite 5M3
  • Pearson Symbol: mS200
  • Space Group: 5
  • Phase Prototype: K0.85Na0.17Mg1.82Ti0.4Fe0.64Al1.24(Al0.105Si0.725)4O11.5[OH]0.4F0.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Berliner Elektronen-Speicherring Gesellschaft für Synchrotronstrahlung, BESSY reactor, BL14.2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 453 variables; 5049 reflections, R = 0.0974; wR = 0.1745
  • Sample Detail(s): ferriphlogopite sample from U.S.A. New Mexico, Ruiz Peak, chemical analysis; K0.848Na0.163Ba0.04Mg1.822Fe0.642Ti0.39Al0.146Si2.908Al1.092O11.516F0.117[OH]0.367, single crystal (determination of cell parameters), single crystal, 0.02×0.15×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.85Na0.17Mg1.82Ti0.4Fe0.64Al1.24Si2.9O11.5[OH]0.4F0.1
  • Alphabetic Formula: Al1.24F0.1Fe0.64K0.85Mg1.82Na0.17O11.5[OH]0.4Si2.9Ti0.4
  • Published Formula: (K0.848Na0.163Ba0.04)(Mg1.822Al0.146Fe3+0.642Ti0.39)(Si2.908Al1.092)O11.516F0.117(OH)0.367
  • Refined Formula: Al1.09Ba0.04Fe0.64K0.81Mg1.97Na0.16O12Si2.91Ti0.39
  • Wyckoff Sequence: 5,c48ba3
  • Z Formula Units: 10
  • Density: ρ = 3.03 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226630

  • 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