Inorganic Solid Phases

Ca1.56REE0.25Pb0.19(Mn+Fe)1.24Al1.76Si3.00O13H (Ca1.56Ce0.25Mn0.83Fe0.41Al1.76Pb0.19[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca1.56Ce0.25Mn0.83Fe0.41Al1.76Pb0.19[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): piemontite
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 82 variables; 949 reflections; I > 3σ(I), R = 0.0335; wR = 0.0326
  • Sample Detail(s): piemontite sample from Macedonia, Nezilovo, electron microprobe analysis; Ca1.31REE0.27Pb0.14Mn1.00Fe0.51Al1.66Mg0.08Zn0.05[Si2O7][SiO4]O[OH,F], single crystal (determination of cell parameters), single crystal, 0.125×0.125×0.075 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.56Ce0.25Mn0.83Fe0.41Al1.76Pb0.19[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al1.76Ca1.56Ce0.25Fe0.41Mn0.83O[OH]Pb0.19[SiO4][Si2O7]
  • Published Formula: Ca1.56REE0.25Pb0.19(Mn+Fe)1.24Al1.76Si3.00O13H
  • Refined Formula: Al1.76Ca1.56Ce0.25HMn1.24O13Pb0.19Si3
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.89 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_1626118

  • 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