Inorganic Solid Phases

(K1.60Rb0.19Cs0.01Ba0.02Na0.03)(Na0.98Ca0.02)(Na0.30Mn0.93Fe2+5.30Zn0.45Ce0.02)(Ti1.60Sn0.06Zr0.09Nb0.32Ta0.01)(Si7.91Al0.04)F0.90(OH)4.10O26 (K1.84Na1.33Zn0.45Ti2Mn1.05Fe5.42Si8O26[OH]4.10F0.90) Crystal Structure

General Information

  • Phase Label(s): K1.84Na1.33Zn0.45Ti2Mn1.05Fe5.42Si8O26[OH]4.10F0.90
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): astrophyllite A
  • Pearson Symbol: aP51
  • Space Group: 2
  • Phase Prototype: K2NaTi2Fe7Si8O26[OH]4([OH]0.4F0.6)
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (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): positions of non-H and part of H atoms determined, least-squares refinement, R = 0.0721; wR = 0.1523
  • Sample Detail(s): astrophyllite sample from U.S.A. Colorado, Pike's Peak, Mt. Rosa, electron microprobe analysis; K1.60Rb0.19Cs0.01Ba0.02Na1.31Ca0.02Mn0.93Fe2+5.30Zn0.45Ce0.02Ti1.60Sn0.06Zr0.09Nb0.32Ta0.01Si7.91Al0.04F0.90[OH]4.10O26, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K1.84Na1.33Zn0.45Ti2Mn1.05Fe5.42Si8O26[OH]4.10F0.90
  • Alphabetic Formula: F0.90Fe5.42K1.84Mn1.05Na1.33O26[OH]4.10Si8Ti2Zn0.45
  • Published Formula: (K1.60Rb0.19Cs0.01Ba0.02Na0.03)(Na0.98Ca0.02)(Na0.30Mn0.93Fe2+5.30Zn0.45Ce0.02)(Ti1.60Sn0.06Zr0.09Nb0.32Ta0.01)(Si7.91Al0.04)F0.90(OH)4.10O26
  • Refined Formula: FFe6.78H8K1.86Na1.18Nb0.46O30Rb0.14Si8Ti1.54
  • Wyckoff Sequence: 2,i24gda
  • Z Formula Units: 1
  • Density: ρ = 3.35 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_1626266

  • 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