Inorganic Solid Phases

(Ca,Pb)3Zn3[TeO6]2 (Ca2.5Zn3Pb0.5Te2O12) Crystal Structure

General Information

  • Phase Label(s): Ca2.5Zn3Pb0.5Te2O12
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): yafsoanite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS SPIDER (determination of structural parameters), X-rays, Mo Kα; λ = 0.0710747 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 19 variables; 193 reflections, R = 0.0368; wR = 0.0680
  • Sample Detail(s): yafsoanite sample from Russia, Sakha (Yakutia), Kuranakh deposit, Delbe orebody, chemical analysis; (Zn1.38Ca1.36Pb0.26)TeO6, data quoted from the literature, single crystal (determination of cell parameters), single crystal, 0.053×0.073×0.086 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2.7Zn3Pb0.3[TeO6]2
  • Alphabetic Formula: Ca2.7Pb0.3[TeO6]2Zn3
  • Published Formula: (Ca,Pb)3Zn3[TeO6]2
  • Refined Formula: Ca2.74O12Pb0.26Te2Zn2.87
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 5.36 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_1224900

  • 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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