Inorganic Solid Phases

basaltic clino-amphibole magnesiohastingsite (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): diffractometer; 23 (determination of cell parameters), rotation and Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1191 reflections; I > 0σ(I), R = 0.047
  • Sample Detail(s): magnesiohastingsite sample from Austria, Styria, Untertiefenbach, chemical analysis; (Si5.94Al2.06)(Mg3.07Mn2+0.02Fe2+0.68Fe3+0.86Ti0.35Al0.02)(Ca1.90Na0.10)(K0.35Na0.63)[OH]1.60O22.4, powder (determination of cell parameters), single crystal, 0.25×0.37 mm2 cross-section (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.35Na0.73Ca1.9Mg3.1Ti0.35Fe1.55Al2Si6O22[OH]2
  • Alphabetic Formula: Al2Ca1.9Fe1.55K0.35Mg3.1Na0.73O22[OH]2Si6Ti0.35
  • Published Formula: basaltic clino-amphibole magnesiohastingsite
  • Refined Formula: Al2.06Ca1.90Fe1.62H2K0.35Mg3.08Na0.73O24Si5.94Ti0.30
  • 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]

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_1713165

  • 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