Inorganic Solid Phases

Mg2.26Fe1.13Al3.61Be1.00Si3.00O16 (Mg3BeFeAl4Si3O16) Crystal Structure

General Information

  • Phase Label(s): Mg3BeFeAl4Si3O16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): surinamite
  • Pearson Symbol: mP108
  • Space Group: 13
  • Phase Prototype: Mg3BeFeAl4Si3O16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (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, full-matrix least-squares refinement on F2; 261 variables; 4876 reflections; F > 4σ(F), R = 0.030; wR = 0.074
  • Sample Detail(s): surinamite sample from Antarctica, Khmara Bay, Christmas Point, electron microprobe analysis; 32.82 wt.% Al2O3, 31.32 wt.% SiO2, 16.08 wt.% MgO, 9.14 wt.% FeO, 5.59 wt.% Fe2O3, 4.44 wt.% BeO, 0.33 wt.% P2O5, 0.17 wt.% MnO, 0.08 wt.% CaO, single crystal (determination of cell parameters), single crystal, 0.020×0.090×0.140 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg2.26BeFe1.13Al3.61Si3O16
  • Alphabetic Formula: Al3.61BeFe1.13Mg2.26O16Si3
  • Published Formula: Mg2.26Fe1.13Al3.61Be1.00Si3.00O16
  • Refined Formula: Al3.61BeFe1.12Mg2.27O16Si3
  • Wyckoff Sequence: 13,g24f3e2b
  • Z Formula Units: 4
  • Density: ρ = 3.67 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811895

  • 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