Inorganic Solid Phases

Li2(Mg,Cu)Cu2[Si2O6]2 (Li2MgCu2Si4O12) Crystal Structure

General Information

  • Phase Label(s): Li2MgCu2Si4O12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP21
  • Space Group: 2
  • Phase Prototype: Li2MgCu2Si4O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5S (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; 3573 reflections; F > 5σ(F), R = 0.047; wR = 0.041
  • Sample Detail(s): sample prepared from MgO, CuO, SiO2, chemical analysis; 50.6 wt.% SiO2, 8.4 wt.% MgO, 33.7 wt.% CuO, 7.3 wt.% Li2O, single crystal (determination of cell parameters), single crystal, 0.10×0.20×0.37 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2MgCu2Si4O12
  • Alphabetic Formula: Cu2Li2MgO12Si4
  • Published Formula: Li2(Mg,Cu)Cu2[Si2O6]2
  • Refined Formula: Cu2.13Li2Mg0.87O12Si4
  • Wyckoff Sequence: 2,i10b
  • Z Formula Units: 1
  • Density: ρ = 3.59 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213337

  • 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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