Inorganic Solid Phases

Si4.95Al13.05O19.95(OH)13.96F4.09Cl (Al13Si5ClO20[OH]14F4) Crystal Structure

General Information

  • Phase Label(s): Al13Si5ClO20[OH]14F4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zunyite
  • Pearson Symbol: cF228
  • Space Group: 216
  • Phase Prototype: Al13Si5ClO20[OH]14F4
  • Measurement Detail(s): automatic diffractometer; 17 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 904 reflections; I > 3σ(I), R = 0.016; wR = 0.030
  • Sample Detail(s): zunyite sample from U.S.A. Arizona, Yuma County, Quartzsite, electron microprobe analysis; Si4.95Al13.05Fe0.005Na0.04Cl0.92F4.1Ox[OH]y, single crystal (determination of cell parameters), single crystal, 0.276 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Al13.05Si4.95ClO19.95[OH]13.96F4.09
  • Alphabetic Formula: Al13.05ClF4.09O19.95[OH]13.96Si4.95
  • Published Formula: Si4.95Al13.05O19.95(OH)13.96F4.09Cl
  • Refined Formula: Al13ClF4H13.99O34Si5
  • Wyckoff Sequence: 216,h3ge3dba
  • Z Formula Units: 4
  • Density: ρ = 2.89 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_1401973

  • 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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