Inorganic Solid Phases

cotype ferro-ferri-hornblende (Na0.18Ca2Mg1.05Fe3.95Al1.8Si6.2O22[OH]2) Crystal Structure

General Information

  • Phase Label(s): Na0.18Ca2Mg1.05Fe3.95Al1.8Si6.2O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferro-ferri-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 parameters), automatic diffractometer; Oxford Diffraction Gemini R Ultra (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (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 on F2; 119 variables; 1827 reflections; I > 2σ(I), R = 0.0349; wR = 0.0725
  • Sample Detail(s): ferro-ferri-hornblende sample from Italy, Alps, Piedmont, Sesia-Lanzo area, Traversella deposit, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.18Ca2Mg1.05Fe3.95Al1.8Si6.2O22[OH]2
  • Alphabetic Formula: Al1.8Ca2Fe3.95Mg1.05Na0.18O22[OH]2Si6.2
  • Published Formula: cotype ferro-ferri-hornblende
  • Refined Formula: Al1.80Ca1.99Fe3.95H2Mg1.05Na0.18O24Si6.20
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.35 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
U [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_1242198

  • 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