Inorganic Solid Phases

(Na0.7K0.3)Ca2.0(Mg3.4Fe1.0Ti0.6)(Si5.95Al2.05O22)F1.1O0.9 (K0.3Na0.7Ca2.0Mg3.4Ti0.6Fe1.0Al2.05Si5.95O22.9F1.1) Crystal Structure

General Information

  • Phase Label(s): K0.3Na0.7Ca2.0Mg3.4Ti0.6Fe1.0Al2.05Si5.95O22.9F1.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pargasite
  • Pearson Symbol: aP84
  • Space Group: 1
  • Phase Prototype: K0.3Na0.7Ca2.0Mg3.4Ti0.6Fe1.0Al2.05Si5.95O22.9F1.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 846 variables; 6432 reflections; I > 3σ(I), R = 0.027
  • Sample Detail(s): amphibole group sample from Germany, Rhineland-Palatinate, Eifel, Rothenberg volcano, energy-dispersive X-ray analysis; K0.3Na0.7Ca2.0Mg3.4Fe1.0Ti0.6Al2.05Si5.95O22.9F1.1, twinned crystal (determination of cell parameters), twinned crystal, 0.15×0.15×0.65 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.3Na0.7Ca2.0Mg3.4Ti0.6Fe1.0Al2.05Si5.95O22.9F1.1
  • Alphabetic Formula: Al2.05Ca2.0F1.1Fe1.0K0.3Mg3.4Na0.7O22.9Si5.95Ti0.6
  • Published Formula: (Na0.7K0.3)Ca2.0(Mg3.4Fe1.0Ti0.6)(Si5.95Al2.05O22)F1.1O0.9
  • Refined Formula: Al2.10Ca1.90F1.10FeK0.25Mg3.40Na0.85O22.90Si5.90Ti0.60
  • Wyckoff Sequence: 1,a84
  • Z Formula Units: 2
  • Density: ρ = 3.23 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_1128069

  • 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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