Inorganic Solid Phases

NaCa2Mg2[VO4]3 or Na0.73Ca2.09Mg2.04Mn0.03Fe0.01(VO4)2.96(PO4)0.02(SiO4)0.01 (NaCa2Mg2[VO4]3) Crystal Structure

General Information

  • Phase Label(s): NaCa2Mg2[VO4]3
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): schäferite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • 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): vanadate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 270 reflections; F > 4σ(F), R = 0.0175; wR = 0.0355
  • Sample Detail(s): schäferite sample from Germany, Rhineland-Palatinate, Eifel, Laacher See, Bellberg volcano, electron microprobe analysis; Na0.73Ca2.09Mg2.04Mn0.03Fe0.01[VO4]2.96[PO4]0.02[SiO4]0.01, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa2Mg2[VO4]3
  • Alphabetic Formula: Ca2Mg2Na[VO4]3
  • Published Formula: NaCa2Mg2[VO4]3 or Na0.73Ca2.09Mg2.04Mn0.03Fe0.01(VO4)2.96(PO4)0.02(SiO4)0.01
  • Refined Formula: Ca2.31Mg1.86Mn0.14Na0.69O12P0.18V2.82
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 3.44 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_1624175

  • 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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