Inorganic Solid Phases

(Na0.383K0.119Ca1.802)(Mg5)(Al0.228Si7.767)O22(OH1.337F0.660Cl0.012) (K0.119Na0.383Ca1.802Mg5Al0.228Si7.767Cl0.012O22[OH]1.337F0.66) Crystal Structure

General Information

  • Phase Label(s): K0.119Na0.383Ca1.802Mg5Al0.228Si7.767Cl0.012O22[OH]1.337F0.66
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tremolite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: K0.1Na0.9Ca1.7Mg2.65Ti0.2Fe1.6Al0.7(Al0.22Si0.78)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Canada, Ontario, Hamilton, McMaster University, MNR reactor (determination of structural parameters), neutrons; λ = 0.105926 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined; diffraction techniques compared, least-squares refinement; 709 reflections; F > 4σ(F), R = 0.021; wR = 0.027
  • Sample Detail(s): tremolite sample from U.S.A. New York, St. Lawrence County, Gouverneur district, chemical analysis; 56.57 wt.% SiO2, 24.41 wt.% MgO, 12.25 wt.% CaO, 1.52 wt.% F, 1.46 wt.% H2O, 1.44 wt.% Na2O, 1.41 wt.% Al2O3, 0.68 wt.% K2O, 0.08 wt.% FeO, 0.05 wt.% Cl, 0.01 wt.% Fe2O3, 0.01 wt.% TiO2, single crystal (determination of cell parameters), single crystal, 5×7×8 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.119Na0.383Ca1.802Mg5Al0.228Si7.767Cl0.012O22[OH]1.337F0.66
  • Alphabetic Formula: Al0.228Ca1.802Cl0.012F0.66K0.119Mg5Na0.383O22[OH]1.337Si7.767
  • Published Formula: (Na0.383K0.119Ca1.802)(Mg5)(Al0.228Si7.767)O22(OH1.337F0.660Cl0.012)
  • Refined Formula: Al0.24Ca1.80Cl0.01F0.66H1.34K0.12Mg5Na0.38O23.33Si7.76
  • Wyckoff Sequence: 12,j7i3h2g2a
  • Z Formula Units: 2
  • Density: ρ = 2.99 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818489

  • 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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