Inorganic Solid Phases

lithian siderophyllite 3T (KLi0.7Fe1.10Al1.96Si3.13O10.5[OH]0.25F1.25) Crystal Structure

General Information

  • Phase Label(s): KLi0.7Fe1.10Al1.96Si3.13O10.5[OH]0.25F1.25
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): siderophyllite 3T
  • Pearson Symbol: hP60
  • Space Group: 151
  • Phase Prototype: (K0.2Na0.8)Al3Si3O10[OH]2
  • Measurement Detail(s): automatic diffractometer; 100 (determination of cell parameters), automatic diffractometer; Siemens P4P (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1479 reflections; I > 3σ(I), R = 0.034
  • Sample Detail(s): siderophyllite sample from U.S.A. Colorado, Pike's Peak, Lake George complex, sample prepared from lithian siderophyllite-3T, energy-dispersive X-ray analysis, inductive coupled plasma method; (Si3.13Al0.87)(Ti0.05Al1.01Fe3+0.12Fe2+0.90Mg0.08Mn0.08Li0.65)(Na0.02K0.97)([OH]0.25F1.25O10.5), single crystal (determination of cell parameters), single crystal, 0.01×0.30×0.34 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.99Li0.7Fe1.10Al1.96Si3.13O10.5[OH]0.25F1.25
  • Alphabetic Formula: Al1.96F1.25Fe1.10K0.99Li0.7O10.5[OH]0.25Si3.13
  • Published Formula: lithian siderophyllite 3T
  • Refined Formula: Al1.96F1.25Fe1.10H0.25K0.99Li0.70O10.75Si3.13
  • Wyckoff Sequence: 151,c8ba3
  • Z Formula Units: 3
  • Density: ρ = 3.03 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601506

  • 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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