Inorganic Solid Phases

K0.6Na1.2Ca1.2Mg4.9Fe0.05Al0.08Si7.92O22[OH]0.7F1.3 (K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16) Crystal Structure

General Information

  • Phase Label(s): K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluoro-pargasite/fluoro-richterite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer; 48 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 100 variables; 1199 reflections; I > 5σ(I), R = 0.014
  • Sample Detail(s): richterite sample from Italy, Campania, Vesuvius area, Monte Somma, electron microprobe analysis; 56.88 wt.% SiO2, 0.11 wt.% Al2O3, 0.11 wt.% FeO, 24.83 wt.% MgO, 7.39 wt.% CaO, 4.36 wt.% Na2O, 4.09 wt.% K2O et al., single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.6Na1.2Ca1.2Mg4.9Fe0.05Al0.08Si7.92O22[OH]0.7F1.3
  • Alphabetic Formula: Al0.08Ca1.2F1.3Fe0.05K0.6Mg4.9Na1.2O22[OH]0.7Si7.92
  • Published Formula: K0.6Na1.2Ca1.2Mg4.9Fe0.05Al0.08Si7.92O22[OH]0.7F1.3
  • Refined Formula: Al0.08Ca1.20F1.30Fe0.05H0.70K0.65Mg4.95Na1.15O22.70Si7.92
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1618009

  • 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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