Inorganic Solid Phases

K0.3Na1.3Ca1.4Mg4.5Fe0.5Al0.4Si7.6O22[OH]0.8F1.2 Crystal Structure

General Information

  • Phase Label(s): K0.3Na1.3Ca1.4Mg4.5Fe0.5Al0.4Si7.6O22[OH]0.8F1.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): katophorite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • 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): complete structure determined, full-matrix least-squares refinement; 100 variables; 1152 reflections; I > 5σ(I), R = 0.019
  • Sample Detail(s): richterite sample from Canada, Ontario, electron microprobe analysis; 54.57 wt.% SiO2, 2.17 wt.% Al2O3, 2.30 wt.% FeO, 22.75 wt.% MgO, 9.30 wt.% CaO, 4.31 wt.% Na2O, 1.49 wt.% K2O et al., single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.3Na1.3Ca1.4Mg4.5Fe0.5Al0.4Si7.6O22[OH]0.8F1.2
  • Alphabetic Formula: Al0.4Ca1.4F1.2Fe0.5K0.3Mg4.5Na1.3O22[OH]0.8Si7.6
  • Published Formula: K0.3Na1.3Ca1.4Mg4.5Fe0.5Al0.4Si7.6O22[OH]0.8F1.2
  • Refined Formula: Al0.40Ca1.40F1.20Fe0.50H0.80K0.32Mg4.50Na1.28O22.80Si7.60
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.10 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_1618007

  • 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

    Citation copied