Inorganic Solid Phases

(Na0.87K0.13)(Na1.18Ca0.82)(Mg1.41Fe3+0.42Ti4+0.17)(Mg0.69Fe1.31)(Mg0.60Fe2+0.38Mn0.02)(Si3.16Al0.84)Si4O22(O1.05(OH)0.66F0.29) (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): 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; 22 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 145 variables; 1481 reflections; I > 2σ(I), R = 0.039; wR = 0.102
  • Sample Detail(s): magnesioferrikatophorite sample from Russia, Kola Peninsula, Kandalaska Bay of the White Sea, Turiy Cape, electron microprobe analysis; (Na0.75K0.13)(Na1.45Ca0.55)(Mg2.72Fe2+1.07Fe3+1.02Ti4+0.17Mn0.02)(Si7.21Al0.76Fe3+0.03)O22[OH]1.71F0.29, single crystal (determination of cell parameters), single crystal, 0.06×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.18Ca0.82Mg2.7Ti0.17Fe2.13Al0.84Si7.16O23.05[OH]0.66F0.29
  • Alphabetic Formula: Al0.84Ca0.82F0.29Fe2.13Mg2.7Na2.18O23.05[OH]0.66Si7.16Ti0.17
  • Published Formula: (Na0.87K0.13)(Na1.18Ca0.82)(Mg1.41Fe3+0.42Ti4+0.17)(Mg0.69Fe1.31)(Mg0.60Fe2+0.38Mn0.02)(Si3.16Al0.84)Si4O22(O1.05(OH)0.66F0.29)
  • Refined Formula: Al0.84Ca0.82F0.29Fe2.10H0.66K0.13Mg2.71Mn0.02Na2.36O23.71Si7.16Ti0.17
  • Wyckoff Sequence: 12,j7i3h2gba
  • 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220715

  • 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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