Inorganic Solid Phases

Na0.85Na1.02Mg0.98Mg4.83Ti3+0.17Si8O22F2 (Na1.87Mg5.81Ti0.17Si8O22F2) Crystal Structure

General Information

  • Phase Label(s): Na1.87Mg5.81Ti0.17Si8O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • Measurement Detail(s): automatic diffractometer; 50 (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): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, 750 reflections; I > 5σ(I), R = 0.027
  • Sample Detail(s): amphibole group sample from synthetic, sample prepared from NaF, MgO, Ti2O3, SiO2, electron microprobe analysis; 57.95 wt.% SiO2, 1.60 wt.% Ti2O3, 28.70 wt.% MgO, 6.57 wt.% Na2O, 4.97 wt.% F, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.87Mg5.81Ti0.17Si8O22F2
  • Alphabetic Formula: F2Mg5.81Na1.87O22Si8Ti0.17
  • Published Formula: Na0.85Na1.02Mg0.98Mg4.83Ti3+0.17Si8O22F2
  • Refined Formula: F2Mg5.91Na1.76O22Si8Ti0.19
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.00 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_1617580

  • 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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