Inorganic Solid Phases

PbCa2(ZnSiO4)3 (Ca2Zn3Pb[SiO4]3) Crystal Structure

General Information

  • Phase Label(s): Ca2Zn3Pb[SiO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): esperite
  • Pearson Symbol: mP84
  • Space Group: 14
  • Phase Prototype: CaBe3Mn2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 191 variables; 7025 reflections, R = 0.0307; wR = 0.0461
  • Sample Detail(s): esperite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, electron microprobe analysis; Pb1.00(Ca1.86Fe2+0.07Mn0.04Cr3+0.02)(Zn1.00Si1.00O4)3, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Zn3Pb[SiO4]3
  • Alphabetic Formula: Ca2Pb[SiO4]3Zn3
  • Published Formula: PbCa2(ZnSiO4)3
  • Refined Formula: Ca2O12PbSi3Zn3
  • Wyckoff Sequence: 14,e21
  • Z Formula Units: 4
  • Density: ρ = 4.55 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_1224904

  • 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