Inorganic Solid Phases

(K1.70Rb0.06Sr0.05Ba0.02)(Na0.61Ca0.38)(Na0.28Mg0.55Mn2.07Fe2+4.02Zn0.08Ce0.01)(Ti1.89Zr0.06Nb0.09Ta0.01)(Si7.69Al0.32)F0.73(OH)4.27O26 (K2Na1.2Mg0.6Ti2Mn0.5Fe5.7Si8O26[OH]4.4F0.6) Crystal Structure

General Information

  • Phase Label(s): K2Na1.2Mg0.6Ti2Mn0.5Fe5.7Si8O26[OH]4.4F0.6
  • 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): complete structure determined, least-squares refinement, R = 0.0612; wR = 0.1466
  • Sample Detail(s): astrophyllite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis; K1.70Rb0.06Sr0.05Ba0.02Na0.89Ca0.38Mg0.55Mn2.07Fe2+4.02Zn0.08Ce0.01Ti1.89Zr0.06Nb0.09Ta0.01Si7.69Al0.32F0.73[OH]4.27O26, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K1.90Na1.28Mg0.55Ti2Mn2.20Fe4.15Si8O26[OH]4.27F0.73
  • Alphabetic Formula: F0.73Fe4.15K1.90Mg0.55Mn2.20Na1.28O26[OH]4.27Si8Ti2
  • Published Formula: (K1.70Rb0.06Sr0.05Ba0.02)(Na0.61Ca0.38)(Na0.28Mg0.55Mn2.07Fe2+4.02Zn0.08Ce0.01)(Ti1.89Zr0.06Nb0.09Ta0.01)(Si7.69Al0.32)F0.73(OH)4.27O26
  • Refined Formula: Ca0.44FFe4.42H4K1.84Mg0.50Mn1.82Na0.90Nb0.07O30Si8Ti1.93
  • Wyckoff Sequence: 2,i24gda
  • Z Formula Units: 1
  • Density: ρ = 3.27 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_1626262

  • 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