Inorganic Solid Phases

K0.04Na2.32Ca0.4Mg2.7Fe0.96Al2.5Si6.92O22[OH]1.77F0.23 Crystal Structure

General Information

  • Phase Label(s): K0.04Na2.32Ca0.4Mg2.7Fe0.96Al2.5Si6.92O22[OH]1.77F0.23
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nyboite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: K0.1Na0.9Ca1.7Mg2.65Ti0.2Fe1.6Al0.7(Al0.22Si0.78)8O22[OH]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; 962 reflections, R = 0.014
  • Sample Detail(s): nyböite sample from, electron microprobe analysis; 48.87 wt.% SiO2, 14.86 wt.% Al2O3, 0.29 wt.% TiO2, 0.02 wt.% Cr2O3, 3.57 wt.% Fe2O3, 4.23 wt.% FeO, 0.01 wt.% MnO, 13.16 wt.% MgO, 2.65 wt.% CaO, 8.29 wt.% Na2O, 0.24 wt.% K2O, 0.51 wt.% F, 1.88 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.04Na2.32Ca0.4Mg2.7Fe0.96Al2.5Si6.92O22[OH]1.77F0.23
  • Alphabetic Formula: Al2.5Ca0.4F0.23Fe0.96K0.04Mg2.7Na2.32O22[OH]1.77Si6.92
  • Published Formula: K0.04Na2.32Ca0.4Mg2.7Fe0.96Al2.5Si6.92O22[OH]1.77F0.23
  • Refined Formula: Al2.50Ca0.40F0.23Fe0.96H1.77K0.04Mg2.70Na2.32O23.77Si6.92
  • Wyckoff Sequence: 12,j7i3h2g2a
  • Z Formula Units: 2
  • Density: ρ = 3.15 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_1013905

  • 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