Inorganic Solid Phases

H1.86Na0.018Ca1.814Mg1.954Fe3.112Mn0.088Ti0.002Al0.024Si7.988O23.96F0.01Cl0.03 (Na0.02Ca1.8Mg2Mn0.1Fe3.1Al0.02Si8Cl0.03O22.06[OH]1.9) Crystal Structure

General Information

  • Phase Label(s): Na0.02Ca1.8Mg2Mn0.1Fe3.1Al0.02Si8Cl0.03O22.06[OH]1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): actinolite
  • Pearson Symbol: mS78
  • Space Group: 12
  • Phase Prototype: (Mg0.6Fe0.4)7Si8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1141 reflections; I > 3σ(I), R = 0.040; wR = 0.038
  • Sample Detail(s): actinolite sample from Greenland, East Greenland, Isua Belt, chemical analysis; 52.58 wt.% SiO2, 0.02 wt.% TiO2, 0.15 wt.% Al2O3, 1.09 wt.% Fe2O3, 23.52 wt.% FeO, 8.63 wt.% MgO, 0.67 wt.% MnO, 11.15 wt.% CaO, 0.06 wt.% Na2O, 0.01 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.02Ca1.8Mg2Mn0.1Fe3.1Al0.02Si8Cl0.03O22.06[OH]1.9
  • Alphabetic Formula: Al0.02Ca1.8Cl0.03Fe3.1Mg2Mn0.1Na0.02O22.06[OH]1.9Si8
  • Published Formula: H1.86Na0.018Ca1.814Mg1.954Fe3.112Mn0.088Ti0.002Al0.024Si7.988O23.96F0.01Cl0.03
  • Refined Formula: Al0.02Ca1.81Cl0.03F0.01Fe3.11H1.86Mg1.95Mn0.09Na0.02O23.96Si7.99Ti0
  • Wyckoff Sequence: 12,j7i2h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.27 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

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_1213432

  • 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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