Inorganic Solid Phases

K0.09Na0.41(Ca,Mn,Fe,Mg,Al,Ti)(Al1.57Si6.43)O22(F0.06OHxO1.94−x), x= 1.36 (Na0.5Ca1.8Mg2.2Ti0.1Fe2Al2.4Si6.4O22.3[OH]1.7) Crystal Structure

General Information

  • Phase Label(s): Na0.5Ca1.8Mg2.2Ti0.1Fe2Al2.4Si6.4O22.3[OH]1.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tschermakite
  • Pearson Symbol: mS92
  • Space Group: 12
  • Phase Prototype: K0.08Na0.44Ca1.6Mg3.16Ti0.17Fe1.68Al1.54Si6.76O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, 1190 reflections; I > 3σ(I), R = 0.0354; wR = 0.0366
  • Sample Detail(s): tschermakitic hornblende sample from, sample prepared from hornblende, electron microprobe analysis; K0.09Na0.41(Ca1.83Mn0.04Fe1.96Mg2.17Al0.86Ti0.07)(Al1.57Si6.43)O22[F0.06OHxO1.94−x], single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca1.8Mg2.2Ti0.1Fe2Al2.4Si6.4O22.6[OH]1.4
  • Alphabetic Formula: Al2.4Ca1.8Fe2Mg2.2Na0.5O22.6[OH]1.4Si6.4Ti0.1
  • Published Formula: K0.09Na0.41(Ca,Mn,Fe,Mg,Al,Ti)(Al1.57Si6.43)O22(F0.06OHxO1.94−x), x= 1.36
  • Refined Formula: Al2.42Ca1.82Fe1.85H1.34Mg2.22Na0.72O24Si6.44Ti0.07
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.25 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
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_1616365

  • 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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