Inorganic Solid Phases

(Na1.78Ca0.890.33)(Ca0.46Sr1.60Ba0.50RE0.44)(CO3)5 (Na2Ba1.3Sr1.3Ca1.3La0.05Ce0.05[CO3]5) Crystal Structure

General Information

  • Phase Label(s): Na2Ba1.3Sr1.3Ca1.3La0.05Ce0.05[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; 52 (determination of cell parameters), automatic diffractometer; STOE 4-circle (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; 933 reflections; F > 3σ(F), R = 0.026; wR = 0.022
  • Sample Detail(s): burbankite sample from U.S.A. Montana, electron microprobe analysis; 33.24 wt.% CO2, 25.08 wt.% SrO, 11.47 wt.% CaO, 11.47 wt.% BaO, 8.34 wt.% Na2O, 5.39 wt.% Ce2O3, 3.37 wt.% La2O3, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.78Ba0.50Sr1.60Ca1.35La0.18Ce0.26[CO3]5
  • Alphabetic Formula: Ba0.50[CO3]5Ca1.35Ce0.26La0.18Na1.78Sr1.60
  • Published Formula: (Na1.78Ca0.890.33)(Ca0.46Sr1.60Ba0.50RE0.44)(CO3)5
  • Refined Formula: Ba0.51C5Ca1.33Ce0.27La0.18Na1.79O15Sr1.59
  • 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_1611287

  • 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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