Inorganic Solid Phases

(K,Na,Ca)(Fe,Mg,Mn,Al)3(Al,Si)3O10(OH,F,Cl)2 (K0.95Na0.05Mg0.20Fe0.28Al2.27Si3.25O10[OH]1.96F0.04) Crystal Structure

General Information

  • Phase Label(s): K0.95Na0.05Mg0.20Fe0.28Al2.27Si3.25O10[OH]1.96F0.04
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite 2M2
  • Pearson Symbol: mS76
  • Space Group: 15
  • Phase Prototype: KAl2(Al0.25Si0.75)4O10[OH]2-a
  • Measurement Detail(s): Weissenberg photographs; 68 (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; 1517 reflections, R = 0.044
  • Sample Detail(s): annite sample from U.S.A. Colorado, Pike's Peak, chemical analysis; (K0.88Na0.07Ca0.03)(Fe2.22Fe0.18Ti0.22Mg0.12Mn0.05Al0.09)(Al1.19Si2.81)(O10.35OH1.38F0.22Cl0.05), single crystal (determination of cell parameters), single crystal, 0.10×0.25×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.1Mg0.1Fe2.4Al1.2Si2.8O10[OH]0.7F0.3
  • Alphabetic Formula: Al1.2F0.3Fe2.4K0.9Mg0.1Na0.1O10[OH]0.7Si2.8
  • Published Formula: (K,Na,Ca)(Fe,Mg,Mn,Al)3(Al,Si)3O10(OH,F,Cl)2
  • Refined Formula: Al1.20F0.60Fe2.65H1.40K0.93Mg0.17Na0.07O11.40Si2.80
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • 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
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_1615641

  • 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