Inorganic Solid Phases

Na1.66Ca1.12Mg2.4Ti0.04Fe1.41Al2.78Si6.44O22[OH]1.75F0.25 (Na2.18Ca0.82Mg2.7Ti0.17Fe2.13Al0.84Si7.16O23.05[OH]0.66F0.29) Crystal Structure

General Information

  • Phase Label(s): Na2.18Ca0.82Mg2.7Ti0.17Fe2.13Al0.84Si7.16O23.05[OH]0.66F0.29
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiokatophorite
  • 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 (determination of cell and 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; 809 reflections, R = 0.012
  • Sample Detail(s): katophorite sample from, electron microprobe analysis; 44.34 wt.% SiO2, 16.15 wt.% Al2O3, 0.35 wt.% TiO2, 0.03 wt.% Cr2O3, 2.17 wt.% Fe2O3, 9.48 wt.% FeO, 0.03 wt.% MnO, 11.12 wt.% MgO, 7.18 wt.% CaO, 5.60 wt.% Na2O, 0.12 wt.% K2O, 0.55 wt.% F, 1.8 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.66Ca1.12Mg2.4Ti0.04Fe1.41Al2.78Si6.44O22[OH]1.75F0.25
  • Alphabetic Formula: Al2.78Ca1.12F0.25Fe1.41Mg2.4Na1.66O22[OH]1.75Si6.44Ti0.04
  • Published Formula: Na1.66Ca1.12Mg2.4Ti0.04Fe1.41Al2.78Si6.44O22[OH]1.75F0.25
  • Refined Formula: Al2.79Ca1.12F0.25Fe1.41H1.75Mg2.41Na1.66O23.75Si6.44Ti0.04
  • Wyckoff Sequence: 12,j7i3h3g2a
  • Z Formula Units: 2
  • Density: ρ = 3.21 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_1013909

  • 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