Inorganic Solid Phases

Na0.774K0.006Ca1.88Al0.664Ti0.031Cr3+0.01Fe3+0.224Fe2+0.828Mn2+0.014Mg3.396Ni0.005Si6.17Al1.83O22(OH1.964Cl0.027F0.009) (Na0.78Ca1.81Mg3.44Ti0.03Fe1.04Al2.5Si6.17Cl0.03O22[OH]1.97) Crystal Structure

General Information

  • Phase Label(s): Na0.78Ca1.81Mg3.44Ti0.03Fe1.04Al2.5Si6.17Cl0.03O22[OH]1.97
  • 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; 35 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1281 reflections; I > 5σ(I), R = 0.0120
  • Sample Detail(s): amphibole group sample from Italy, Alps, Piedmont, Ivrea-Verbano area, Finero complex, electron microprobe analysis; (Na0.774K0.006)Ca1.88(Al0.664Ti0.031Cr3+0.01Fe3+0.224Fe2+0.828Mn2+0.014Mg3.396Ni0.005)(Si6.17Al1.83)O22[OH1.964Cl0.027F0.009], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.78Ca1.81Mg3.44Ti0.03Fe1.04Al2.5Si6.17Cl0.03O22[OH]1.97
  • Alphabetic Formula: Al2.5Ca1.81Cl0.03Fe1.04Mg3.44Na0.78O22[OH]1.97Si6.17Ti0.03
  • Published Formula: Na0.774K0.006Ca1.88Al0.664Ti0.031Cr3+0.01Fe3+0.224Fe2+0.828Mn2+0.014Mg3.396Ni0.005Si6.17Al1.83O22(OH1.964Cl0.027F0.009)
  • Refined Formula: Al2.51Ca1.81Cl0.03Fe1.04H1.97Mg3.44Na0.78O23.97Si6.17Ti0.03
  • Wyckoff Sequence: 12,j7i3h3g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.16 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_1012981

  • 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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