Inorganic Solid Phases

(Na0.78K0.06)(Na1.53Ca0.47)(Fe2+0.89Mg2.55Mn2+0.01Zn0.01Fe3+0.32Al1.21Ti0.01)(Si7.14Al0.86)O22(OH)0.84F1.16 (K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16) Crystal Structure

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General Information

  • Phase Label(s): K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): fluoro-pargasite/fluoro-richterite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (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; 1146 reflections; I > 3σ(I), R = 0.013
  • Sample Detail(s): fluoronyböite sample from China, Anhui province, Suixi County, Sulu terrane, Hushan, electron microprobe analysis; Si7.14Al0.86Al1.21Mg2.55Ti0.01Fe2+0.89Fe3+0.32Mn2+0.01Zn0.01Ca0.47Na1.53Na0.78K0.06O22F1.16[OH]0.84, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16
  • Alphabetic Formula: Al2.07Ca0.47F1.16Fe1.24K0.06Mg2.56Na2.31O22[OH]0.84Si7.14
  • Published Formula: (Na0.78K0.06)(Na1.53Ca0.47)(Fe2+0.89Mg2.55Mn2+0.01Zn0.01Fe3+0.32Al1.21Ti0.01)(Si7.14Al0.86)O22(OH)0.84F1.16
  • Refined Formula: Al2.07Ca0.47F1.20Fe1.21H0.90K0.06Mg2.55Mn0.01Na2.32O22.80Si7.14Ti0.01Zn0.01
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.19 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_1220881

  • 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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