Inorganic Solid Phases

H1.868K0.048Na0.024Ca1.952Mg0.742Fe4.104Mn0.18Ti0.004Al0.02Si7.98O24F0.01Cl0.006 (K0.05Na0.02Ca2Mg0.7Mn0.2Fe4.1Al0.02Si8O22.1[OH]1.9) Crystal Structure

General Information

  • Phase Label(s): K0.05Na0.02Ca2Mg0.7Mn0.2Fe4.1Al0.02Si8O22.1[OH]1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): actinolite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • 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
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1299 reflections; I > 3σ(I), R = 0.047; wR = 0.051
  • Sample Detail(s): actinolite sample from U.S.A. Virginia, Leesburg, Goose Creek quarry, chemical analysis; 50.58 wt.% SiO2, 0.04 wt.% TiO2, 0.10 wt.% Al2O3, 1.05 wt.% Fe2O3, 30.51 wt.% FeO, 2.97 wt.% MgO, 1.34 wt.% MnO, 11.57 wt.% CaO, 0.06 wt.% Na2O, 0.02 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.05Na0.02Ca2Mg0.7Mn0.2Fe4.1Al0.02Si8O22.1[OH]1.9
  • Alphabetic Formula: Al0.02Ca2Fe4.1K0.05Mg0.7Mn0.2Na0.02O22.1[OH]1.9Si8
  • Published Formula: H1.868K0.048Na0.024Ca1.952Mg0.742Fe4.104Mn0.18Ti0.004Al0.02Si7.98O24F0.01Cl0.006
  • Refined Formula: Al0.02Ca1.95Cl0.01F0.01Fe4.10H1.87K0.05Mg0.74Mn0.18Na0.02O23.98Si7.98Ti0
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.37 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_1213435

  • 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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