Inorganic Solid Phases

(CaMg)0.3(NaSc)0.7Si2O6:0.03Eu (Na0.68Ca0.29Mg0.3Sc0.7Eu0.03Si2O6, T = 673 K) Crystal Structure

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General Information

  • Phase Label(s): Na0.68Ca0.29Mg0.3Sc0.7Eu0.03Si2O6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters), T = 673 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 75 variables; 389 reflections, RP = 0.0502; wRP = 0.0682; RB = 0.0274
  • Sample Detail(s): sample prepared from Si(OC2H5)4, Mg[NO3]2, Ca[NO3]2, NaNO3, Sc[NO3]3, Eu2O3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.68Ca0.29Mg0.3Sc0.7Eu0.03Si2O6
  • Alphabetic Formula: Ca0.29Eu0.03Mg0.3Na0.68O6Sc0.7Si2
  • Published Formula: (CaMg)0.3(NaSc)0.7Si2O6:0.03Eu
  • Refined Formula: Ca0.29Eu0.03Mg0.30Na0.68O6Sc0.70Si2
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.24 Mg·m−3
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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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1531822

  • 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)

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