Inorganic Solid Phases

Ca8Mn3+6[(BO3)6(CO3)2O6] (Ca4Mn3[BO3]3[CO3]O3, T = 418 K) Crystal Structure

General Information

  • Phase Label(s): Ca4Mn3[BO3]3[CO3]O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gaudefroyite
  • Pearson Symbol: hP60
  • Space Group: 176
  • Phase Prototype: Ca4Mn3[BO3]3[CO3]O3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.09212 nm (determination of cell and structural parameters), T = 418 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, carbonate, oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement
  • Sample Detail(s): gaudefroyite sample from South Africa, Northern Cape Province, Kalahari manganese field, Wessel's mine, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4Mn3[BO3]3[CO3]O3
  • Alphabetic Formula: [BO3]3[CO3]Ca4Mn3O3
  • Published Formula: Ca8Mn3+6[(BO3)6(CO3)2O6]
  • Refined Formula: B3CCa4Mn3O15
  • Wyckoff Sequence: 176,i2h4gec
  • Z Formula Units: 2
  • Density: ρ = 3.52 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221615

  • 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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