Inorganic Solid Phases

Mg0.48Fe1.21Si3.64B3.94Al14.74O37 (Mg1.35Fe0.85Al14.2Si4B3.6O37) Crystal Structure

General Information

  • Phase Label(s): Mg1.35Fe0.85Al14.2Si4B3.6O37
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): werdingite
  • Pearson Symbol: aP65
  • Space Group: 2
  • Phase Prototype: Mg1.63Fe0.76Al14Si4B3.74O37
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 305 variables; 13164 reflections, R = 0.0881; wR = 0.1645
  • Sample Detail(s): werdingite sample from Norway, Rogaland, Almgjotheii, electron microprobe analysis; Si3.608Ti0.002B4.181Al14.440Be0.097Mg0.481Mn0.005Fe1.266O37, single crystal (determination of cell parameters), single crystal, 0.07×0.08×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.5Fe1.2Al14.74Si3.64B3.94O37
  • Alphabetic Formula: Al14.74B3.94Fe1.2Mg0.5O37Si3.64
  • Published Formula: Mg0.48Fe1.21Si3.64B3.94Al14.74O37
  • Refined Formula: Al14.74B3.93Fe1.21Mg0.48O36.97Si3.64
  • Wyckoff Sequence: 2,i34hfdcba
  • Z Formula Units: 1
  • Density: ρ = 3.12 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_1226592

  • 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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