Inorganic Solid Phases

(Sr,TR,Ba)(Ca,Na)(CO3)2 (Na0.2Ba0.1Sr0.4Ca0.8La0.2Ce0.2[CO3]2) Crystal Structure

General Information

  • Phase Label(s): Na0.2Ba0.1Sr0.4Ca0.8La0.2Ce0.2[CO3]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): carbocernaite
  • Pearson Symbol: oP20
  • Space Group: 26
  • Phase Prototype: NaLa[CO3]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RASA-IIS (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 313 reflections; F > 3σ(F), R = 0.062
  • Sample Detail(s): carbocernaite sample from China, Shangdong Province, Bayan Obo, Baotou, sample prepared from carbocernaite, chemical analysis; (Sr0.44TR0.40Ba0.10)(Ca0.78Na0.26)[CO3]2; 10.27 Ce2O3, 8.78 La2O3, 0.99 Pr6O11, 2.47 Nd2O3, 0.30 Sm2O3, 0.39 Gd2O3, 17.77 SrO, 5.24 BaO, 16.68 CaO, 0.53 FeO, 3.15 Na2O, 33.85 CO2, 1.22 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.10×0.25×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.2Ba0.1Sr0.4Ca0.8La0.2Ce0.2[CO3]2
  • Alphabetic Formula: Ba0.1[CO3]2Ca0.8Ce0.2La0.2Na0.2Sr0.4
  • Published Formula: (Sr,TR,Ba)(Ca,Na)(CO3)2
  • Refined Formula: Ba0.10C2Ca0.74Ce0.22La0.18Na0.26O6Sr0.50
  • Wyckoff Sequence: 26,c2b3a3
  • Z Formula Units: 2
  • Density: ρ = 3.54 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602044

  • 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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