Inorganic Solid Phases

calcic amphibole (K0.08Na0.44Ca1.6Mg3.16Ti0.17Fe1.68Al1.54Si6.76O22[OH]2) Crystal Structure

General Information

  • Phase Label(s): K0.08Na0.44Ca1.6Mg3.16Ti0.17Fe1.68Al1.54Si6.76O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesio-hornblende
  • 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 and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, 1084 reflections, R = 0.015
  • Sample Detail(s): magnesiohornblende sample from Italy, Sardinia, Punta Falcone, electron microprobe analysis; (Si6.923Al1.077)(Al0.250Ti0.154Cr3+0.001Fe3+0.133Fe2+1.536Mn2+0.021Mg3.109Zn0.004)Ca1.787(Na0.283K0.128)O22(F0.047[OH]1.953), no Ni detected, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.5Na1.0Ca1.7Mg3.1Ti0.1Fe1.6Al1.3Si6.8O22[OH]2
  • Alphabetic Formula: Al1.3Ca1.7Fe1.6K0.5Mg3.1Na1.0O22[OH]2Si6.8Ti0.1
  • Published Formula: calcic amphibole
  • Refined Formula: Al1.33Ca1.81Fe1.63H4K0.48Mg3.15Mn0.02Na1.02O24Si6.92Ti0.14
  • Wyckoff Sequence: 12,j7i3h3g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.24 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_1618170

  • 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