Inorganic Solid Phases

KMg3AlSi3O10(OH,F)2 (KMg3AlSi3O10[OH]F mon1) Crystal Structure

General Information

  • Phase Label(s): KMg3AlSi3O10[OH]F mon1
  • 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): Weissenberg photographs; 72 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays (determination of 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; 1691 reflections, R = 0.041
  • Sample Detail(s): phlogopite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, chemical analysis; (K0.77Na0.16Ba0.05)Mg3.00Al1.05Si2.95O10.00[F1.30OH0.70], single crystal (determination of cell parameters), single crystal, 0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg3AlSi3O10[OH]0.7F0.3
  • Alphabetic Formula: AlF0.3KMg3O10[OH]0.7Si3
  • Published Formula: KMg3AlSi3O10(OH,F)2
  • Refined Formula: AlF0.70H1.30KMg3O11.30Si3
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.73 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_1615640

  • 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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