Inorganic Solid Phases

[K0.46Na0.03Ba0.01(NH4)0.36](Al1.98Mg0.01Fe2+0.01V3+0.01)(Si3.13Al0.87)O10.00F0.08(OH)1.92 (K0.51[NH4]0.36Al2.87Si3.13O10[OH]1.92F0.08 2M2) Crystal Structure

General Information

  • Phase Label(s): K0.51[NH4]0.36Al2.87Si3.13O10[OH]1.92F0.08 2M2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): muscovite 2M2
  • Pearson Symbol: mS220
  • Space Group: 15
  • Phase Prototype: K0.51[NH4]0.36Al2.87Si3.13O10[OH]1.92F0.08
  • Measurement Detail(s): automatic diffractometer; 2421 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 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; 73 variables; 540 reflections; I > 3σ(I), R = 0.0559; wR = 0.0563
  • Sample Detail(s): muscovite sample from France, Brittany, Ordovician Armorican massif, electron microprobe analysis, X-ray fluorescence spectroscopy; (K0.46Na0.03Ba0.01[NH4]0.36)(Al1.98Mg0.01Fe2+0.01V3+0.01)(Si3.13Al0.87)O10.00F0.08[OH]1.92, single crystal (determination of cell parameters), single crystal, 0.01×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.51[NH4]0.36Al2.87Si3.13O10[OH]1.92F0.08
  • Alphabetic Formula: Al2.87F0.08K0.51[NH4]0.36O10[OH]1.92Si3.13
  • Published Formula: [K0.46Na0.03Ba0.01(NH4)0.36](Al1.98Mg0.01Fe2+0.01V3+0.01)(Si3.13Al0.87)O10.00F0.08(OH)1.92
  • Refined Formula: Al1.99H3.99K0.46N0.50O12Si4.01
  • Wyckoff Sequence: 15,f27e
  • Z Formula Units: 4
  • Density: ρ = 2.69 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_1229533

  • 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

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