Inorganic Solid Phases

Si8.006(Al0.122Fe3+1.695Mn0.018Ti0.001Mg3.175)(Ca0.122Na1.878)(Na0.007K0.039)O22(OH)1.893F0.107 (K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16) Crystal Structure

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 and 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; 1360 reflections, R = 0.030
  • Sample Detail(s): amphibole group sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, electron microprobe analysis; Si8.006(Al0.111Fe3+1.695Mn0.018Ti0.001Mg3.175)(Ca0.122Na1.878)(Na0.007K0.039)O22[OH]1.893F0.107, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.04Na1.9Ca0.122Mg3.175Fe1.7Al0.122Si8O22[OH]1.893F0.107
  • Alphabetic Formula: Al0.122Ca0.122F0.107Fe1.7K0.04Mg3.175Na1.9O22[OH]1.893Si8
  • Published Formula: Si8.006(Al0.122Fe3+1.695Mn0.018Ti0.001Mg3.175)(Ca0.122Na1.878)(Na0.007K0.039)O22(OH)1.893F0.107
  • Refined Formula: Al0.11Ca0.12F0.11Fe1.69H1.89K0.04Mg3.18Mn0.02Na1.95O23.89Si8
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.10 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
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_1221628

  • 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