Inorganic Solid Phases

(Na3.73Ca0.27)(Fe2+8.55Ti2.10Mg0.46Fe3+0.40Mn0.40Ca0.06Zn0.01Zr0.01)(Si11.10Al0.64Fe3+0.26)O40 (Na1.87Ca0.17Mg0.23Ti1.05Mn0.2Fe4.62Al0.32Si5.55O20) Crystal Structure

General Information

  • Phase Label(s): Na1.87Ca0.17Mg0.23Ti1.05Mn0.2Fe4.62Al0.32Si5.55O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): aenigmatite
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: Na2TiFe5Si6O20
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 5515 reflections; F > 4σ(F), R = 0.0277; wR = 0.0722
  • Sample Detail(s): aenigmatite sample from Norway, Vestfold, Vesteroya, electron microprobe analysis, Mössbauer spectroscopy; Si11.110Ti2.097Zr0.005Al0.640Cr0.002Fe3+0.663Mg0.461Ca0.335Mn0.395Fe2+8.547Zn0.015Na3.730O40, single crystal (determination of cell parameters), single crystal, 0.1×0.3×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.87Ca0.17Mg0.23Ti1.05Mn0.2Fe4.62Al0.32Si5.55O20
  • Alphabetic Formula: Al0.32Ca0.17Fe4.62Mg0.23Mn0.2Na1.87O20Si5.55Ti1.05
  • Published Formula: (Na3.73Ca0.27)(Fe2+8.55Ti2.10Mg0.46Fe3+0.40Mn0.40Ca0.06Zn0.01Zr0.01)(Si11.10Al0.64Fe3+0.26)O40
  • Refined Formula: Ca0.13Fe4.76Mg0.33Na1.87O20Si5.91Ti
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 2
  • Density: ρ = 3.82 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221652

  • 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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