Inorganic Solid Phases

Na0.99(Fe2+0.02Na0.77Ca1.21)(Fe2+1.11Mg2.12Al1.04Fe3+0.68Ti0.03Mn0.02)(Si6.00Al2.00)O22(OH)0.96F1.04 (Na1.76Ca1.21Mg2.13Ti0.03Fe1.82Al3.04Si6O22[OH]0.96F1.04) Crystal Structure

General Information

  • Phase Label(s): Na1.76Ca1.21Mg2.13Ti0.03Fe1.82Al3.04Si6O22[OH]0.96F1.04
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiotaramite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays (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; 1111 reflections; I > 3σ(I), R = 0.023
  • Sample Detail(s): fluoro-alumino-magnesiotaramite sample from China, Jiangsu Province, Jianchang, electron microprobe analysis; Na0.99(Fe2+0.02Na0.77Ca1.21)(Fe2+1.11Mg2.12Al1.04Fe3+0.68Ti0.03Mn0.02)(Si6.00Al2.00)O22[OH]0.96F1.04, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.76Ca1.21Mg2.13Ti0.03Fe1.82Al3.04Si6O22[OH]0.96F1.04
  • Alphabetic Formula: Al3.04Ca1.21F1.04Fe1.82Mg2.13Na1.76O22[OH]0.96Si6Ti0.03
  • Published Formula: Na0.99(Fe2+0.02Na0.77Ca1.21)(Fe2+1.11Mg2.12Al1.04Fe3+0.68Ti0.03Mn0.02)(Si6.00Al2.00)O22(OH)0.96F1.04
  • Refined Formula: Al3.04Ca1.21F1.04Fe1.81H0.96Mg2.12Mn0.02Na1.76O22.96Si6Ti0.03
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.26 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217017

  • 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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