Inorganic Solid Phases

(Ba0.985Ca0.008Fe0.007)(Mg0.981Fe0.017Zn0.002)(CO3)2 (Ba0.985Ca0.008Mg0.981Zn0.002Fe0.024[CO3]2) Crystal Structure

General Information

  • Phase Label(s): Ba0.985Ca0.008Mg0.981Zn0.002Fe0.024[CO3]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): norsethite
  • Pearson Symbol: hR30
  • Space Group: 166
  • Phase Prototype: BaMg[CO3]2
  • Measurement Detail(s): automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 318 reflections, R = 0.021
  • Sample Detail(s): norsethite sample from Brazil, Minas Gerais, Tapira complex, electron microprobe analysis; 53.76 wt.% BaO, 14.08 wt.% MgO, 0.61 wt.% FeO, 0.16 wt.% CaO, 0.06 wt.% ZnO, 31.33 wt.% CO2, single crystal, 0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.985Ca0.008Mg0.981Zn0.002Fe0.024[CO3]2
  • Alphabetic Formula: Ba0.985[CO3]2Ca0.008Fe0.024Mg0.981Zn0.002
  • Published Formula: (Ba0.985Ca0.008Fe0.007)(Mg0.981Fe0.017Zn0.002)(CO3)2
  • Refined Formula: Ba0.98C2Ca0.01Fe0.02Mg0.98O6Zn0
  • Wyckoff Sequence: 166,hcba
  • Z Formula Units: 3
  • Density: ρ = 3.82 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906969

  • 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)

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