Inorganic Solid Phases

(Na2.46Ca0.98Sr1.71Ba0.32Y0.05Ce0.17La0.08Nd0.08Pr0.02Th0.09)(CO3)5 (Na2.46Ba0.32Sr1.71Ca0.99La0.1Th0.09Ce0.18Nd0.1[CO3]5) Crystal Structure

General Information

  • Phase Label(s): Na2.46Ba0.32Sr1.71Ca0.99La0.1Th0.09Ce0.18Nd0.1[CO3]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): burbankite
  • Pearson Symbol: hP52
  • Space Group: 186
  • Phase Prototype: (Na0.6Ca0.3)3(Ba0.17Sr0.53Ca0.15Ce0.15)3[CO3]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 54 variables; 1025 reflections, R = 0.049; wR = 0.050
  • Sample Detail(s): burbankite sample from Romania, Cioclovina Cave, electron microprobe analysis; (Na2.46Ca0.98Sr1.71Ba0.32Y0.05Ce0.17La0.08Nd0.08Pr0.02Th0.09)[CO3]5, single crystal (determination of cell parameters), single crystal, 0.040×0.050×0.085 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.46Ba0.32Sr1.71Ca0.99La0.1Th0.09Ce0.18Nd0.1[CO3]5
  • Alphabetic Formula: Ba0.32[CO3]5Ca0.99Ce0.18La0.1Na2.46Nd0.1Sr1.71Th0.09
  • Published Formula: (Na2.46Ca0.98Sr1.71Ba0.32Y0.05Ce0.17La0.08Nd0.08Pr0.02Th0.09)(CO3)5
  • Refined Formula: Ba0.32C5Ca0.98Ce0.18La0.08Na2.46Nd0.09O15Sr1.71Th0.09Y0.05
  • Wyckoff Sequence: 186,dc6ba
  • Z Formula Units: 2
  • Density: ρ = 3.56 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_1223637

  • 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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