Inorganic Solid Phases

(Si7.09Al0.91)(Al0.06Ti0.01Mg4.75Fe2+0.18Mn2+0.01)(Ca1.99)(Ca0.03Na0.65K0.11)O22(OH)0.86F1.14Cl0.01 (K0.11Na0.65Ca2.02Mg4.75Fe0.2Al0.98Si7.09O22[OH]0.86F1.14) Crystal Structure

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General Information

  • Phase Label(s): K0.11Na0.65Ca2.02Mg4.75Fe0.2Al0.98Si7.09O22[OH]0.86F1.14
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): edenite/fluoro-edenite
  • Pearson Symbol: mS92
  • Space Group: 12
  • Phase Prototype: K0.08Na0.44Ca1.6Mg3.16Ti0.17Fe1.68Al1.54Si6.76O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW100 (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, full-matrix least-squares refinement on F; 1326 reflections; I > 3σ(I), R = 0.0129
  • Sample Detail(s): fluoro-edenite sample from U.S.A. New Jersey, Sparta, Limecrest-Southdown quarry, electron microprobe analysis; (Si7.09Al0.91)(Al0.06Ti0.01Mg4.75Fe2+0.18Mn2+0.01)(Ca1.99)(Ca0.03Na0.65K0.11)O22[OH]0.86F1.14Cl0.01, single crystal (determination of cell parameters), single crystal, 0.26×0.30×0.51 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.11Na0.65Ca2.02Mg4.75Fe0.2Al0.98Si7.09O22[OH]0.86F1.14
  • Alphabetic Formula: Al0.98Ca2.02F1.14Fe0.2K0.11Mg4.75Na0.65O22[OH]0.86Si7.09
  • Published Formula: (Si7.09Al0.91)(Al0.06Ti0.01Mg4.75Fe2+0.18Mn2+0.01)(Ca1.99)(Ca0.03Na0.65K0.11)O22(OH)0.86F1.14Cl0.01
  • Refined Formula: Al0.97Ca2.03F1.14Fe0.18H0.86K0.11Mg4.73Na0.65O22.86Si7.09
  • Wyckoff Sequence: 12,j7i3h3g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.07 Mg·m−3
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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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1235330

  • 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)

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