Inorganic Solid Phases

(Mg,Fe)RE2(CO3)4 (Mg0.86La0.6Ce1.08Pr0.08Nd0.24Fe0.14[CO3]4) Crystal Structure

General Information

  • Phase Label(s): Mg0.86La0.6Ce1.08Pr0.08Nd0.24Fe0.14[CO3]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sahamalite-(Ce)
  • Pearson Symbol: mP38
  • Space Group: 14
  • Phase Prototype: (Mg0.86Fe0.14)(La0.60Ce1.08Pr0.08Nd0.24)[CO3]4
  • Measurement Detail(s): automatic diffractometer; 29 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1453 reflections; I > 0σ(I), R = 0.043; wR = 0.045
  • Sample Detail(s): sahamalite sample from U.S.A. California, San Bernardino County, Mt. Pass mine, sample prepared from sahamalite, electron microprobe analysis; (Mg0.85Fe0.15)(Ce0.53La0.30Nd0.12Pr0.04Sm0.01)2[CO3]4, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.86La0.6Ce1.08Pr0.08Nd0.24Fe0.14[CO3]4
  • Alphabetic Formula: [CO3]4Ce1.08Fe0.14La0.6Mg0.86Nd0.24Pr0.08
  • Published Formula: (Mg,Fe)RE2(CO3)4
  • Refined Formula: C4CeFe0.14LaMg0.86O12
  • Wyckoff Sequence: 14,e9a
  • Z Formula Units: 2
  • Density: ρ = 4.34 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

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_1602806

  • 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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