Inorganic Solid Phases

K0.06Na0.93Ca1.7Mg2.64Ti0.19Fe2+1.52Fe3+0.05Mn2+0.02Al2.53Si6.19O23Hx (K0.3Na1.2Ca1.8Mg2.9Ti0.2Fe1.6Al1.8Si6.4O22[OH]2) Crystal Structure

General Information

  • Phase Label(s): K0.3Na1.2Ca1.8Mg2.9Ti0.2Fe1.6Al1.8Si6.4O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesio-hastingsite
  • Pearson Symbol: mS92
  • Space Group: 12
  • Phase Prototype: K0.08Na0.44Ca1.6Mg3.16Ti0.17Fe1.68Al1.54Si6.76O22[OH]2
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Rigaku AFC5UD (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 2234 reflections; I > 3σ(I), wR = 0.037
  • Sample Detail(s): pargasite sample from Japan, Ehime Prefecture, electron microprobe analysis; 41.50 wt.% SiO2, 14.40 wt.% Al2O3, 1.66 wt.% TiO2, 12.60 wt.% FeO, 11.88 wt.% MgO, 10.65 wt.% CaO, 3.22 wt.% Na2O et al., single crystal (determination of cell parameters), single crystal, 0.10×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.9Ca1.7Mg2.65Ti0.2Fe1.6Al2.5Si6.2O22[OH]2
  • Alphabetic Formula: Al2.5Ca1.7Fe1.6K0.1Mg2.65Na0.9O22[OH]2Si6.2Ti0.2
  • Published Formula: K0.06Na0.93Ca1.7Mg2.64Ti0.19Fe2+1.52Fe3+0.05Mn2+0.02Al2.53Si6.19O23Hx
  • Refined Formula: Al2.52Ca1.70Fe1.59H2K0.06Mg2.62Na0.93O24Si6.20Ti0.19
  • Wyckoff Sequence: 12,j7i3h2g2a
  • 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616436

  • 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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