Inorganic Solid Phases

Ca2(Ca0.10Mg1.20Fe5.55Si1.50Al3.65)O20 (CaMgFe2.2Al1.7Si1.1O10) Crystal Structure

General Information

  • Phase Label(s): CaMgFe2.2Al1.7Si1.1O10
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: CaMg3Si3O10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 324 variables; 4469 reflections, R = 0.0907; wR = 0.0998
  • Sample Detail(s): sample prepared from CaCO3, MgO, Fe2O3 (hematite), Al2O3, SiO2, electron microprobe analysis; Ca2(Ca0.10Mg1.20Fe5.55Si1.50Al3.65)O20, twinned crystal (determination of cell parameters), twinned crystal, 0.09×0.12×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.6Fe2.8Al1.8Si0.8O10
  • Alphabetic Formula: Al1.8CaFe2.8Mg0.6O10Si0.8
  • Published Formula: Ca2(Ca0.10Mg1.20Fe5.55Si1.50Al3.65)O20
  • Refined Formula: Ca1.05Fe2.58Mg0.99O10Si2.38
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 4
  • Density: ρ = 3.96 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_1215897

  • 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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