Inorganic Solid Phases

NaNa2(Fe2+3Fe3+2)Si8O22(OH)2 (K0.27Na2.51Ca0.17Mn0.32Fe4.68Al0.59Si7.41O22[OH]1.58F0.42) Crystal Structure

General Information

  • Phase Label(s): K0.27Na2.51Ca0.17Mn0.32Fe4.68Al0.59Si7.41O22[OH]1.58F0.42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferro-ferri-nyboite
  • Pearson Symbol: mS90
  • Space Group: 12
  • Phase Prototype: K0.67Na2.22Li0.29Ti0.05Mn0.19Fe4.71Si7.87O22[OH]1.81F0.19
  • Measurement Detail(s): automatic diffractometer; 6593 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (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; 1382 reflections; I > 4σ(I), R = 0.0314
  • Sample Detail(s): ferro-ferri-nyboite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis, Mössbauer spectroscopy; (Na0.68K0.27)(Na1.83Ca0.17)(Mg0.06Fe2+3.17Mn0.31Zn0.01Fe3+1.36Ti0.06)(Si7.41Al0.59)O22(OH)1.58F0.42, single crystal (determination of cell parameters), single crystal, 0.200×0.200×0.330 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.27Na2.51Ca0.17Mn0.32Fe4.68Al0.59Si7.41O22[OH]1.58F0.42
  • Alphabetic Formula: Al0.59Ca0.17F0.42Fe4.68K0.27Mn0.32Na2.51O22[OH]1.58Si7.41
  • Published Formula: NaNa2(Fe2+3Fe3+2)Si8O22(OH)2
  • Refined Formula: Al0.59Ca0.17F0.43Fe4.58H1.57K0.27Mg0.06Mn0.30Na2.51O23.57Si7.41Ti0.06
  • Wyckoff Sequence: 12,j7i4h2g2b
  • Z Formula Units: 2
  • Density: ρ = 3.44 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1237417

  • 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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