Inorganic Solid Phases

(Ca2Na)Mn2V3O12, (Ca2+xNa1−x)Mn2[(V,As)3−xSix]O12, x ≈ 0.3 (Na0.7Ca2.3V2.6Mn2Si0.3As0.1O12) Crystal Structure

General Information

  • Phase Label(s): Na0.7Ca2.3V2.6Mn2Si0.3As0.1O12
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): palenzonaite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; I > 3σ(I), R = 0.026; wR = 0.022
  • Sample Detail(s): palenzonaite sample from Italy, Apennines, Liguria, Val Graveglia, Molinello mine, electron microprobe analysis; 23.45 wt.% CaO, 3.52 wt.% Na2O, 25.15 wt.% MnO, 39.40 wt.% V2O5, 5.61 wt.% As2O5, 2.98 wt.% SiO2, single crystal (determination of cell parameters), single crystal, 0.083×0.104×0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.7Ca2.3V2.6Mn2Si0.3As0.1O12
  • Alphabetic Formula: As0.1Ca2.3Mn2Na0.7O12Si0.3V2.6
  • Published Formula: (Ca2Na)Mn2V3O12, (Ca2+xNa1−x)Mn2[(V,As)3−xSix]O12, x ≈ 0.3
  • Refined Formula: As0.08Ca2.27Mn2Na0.73O12V2.93
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 3.77 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624477

  • 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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