Inorganic Solid Phases

(Na0.82K0.17)(Ca1.95Na0.05)(Mg3.36Fe2+0.23Al1.20Cr3+0.07Ti4+0.16)(Si5.47Al2.53)O22[(OH)1.58F0.42] (K0.17Na0.87Ca1.95Mg3.36Fe0.53Al3.8Si5.47O22[OH]1.58F0.42) Crystal Structure

General Information

  • Phase Label(s): K0.17Na0.87Ca1.95Mg3.36Fe0.53Al3.8Si5.47O22[OH]1.58F0.42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiosadanagaite [not IMA]
  • 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 (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): positions of non-H atoms determined, least-squares refinement; 1092 reflections; F > 4σ(F), R = 0.030; wR = 0.068
  • Sample Detail(s): magnesiosadanagaite sample from Myanmar (Burma), Mogok, electron microprobe analysis; (Na0.82K0.17)(Ca1.95Na0.05)(Mg3.36Fe2+0.23Al1.20Cr3+0.07Ti4+0.16)(Si5.47Al2.53)O22([OH]1.58F0.42), single crystal (determination of cell parameters), single crystal, 0.08×0.10×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.17Na0.87Ca1.95Mg3.36Fe0.53Al3.8Si5.47O22[OH]1.58F0.42
  • Alphabetic Formula: Al3.8Ca1.95F0.42Fe0.53K0.17Mg3.36Na0.87O22[OH]1.58Si5.47
  • Published Formula: (Na0.82K0.17)(Ca1.95Na0.05)(Mg3.36Fe2+0.23Al1.20Cr3+0.07Ti4+0.16)(Si5.47Al2.53)O22[(OH)1.58F0.42]
  • Refined Formula: Al3.70Ca1.95Cr0.07F0.42Fe0.22H1.58K0.17Mg3.35Na0.86O23.58Si5.50Ti0.16
  • Wyckoff Sequence: 12,j7i4h2g2b
  • 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221704

  • 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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