Inorganic Solid Phases

NaCa2Mg2(As5+O4)3 (NaCa2Mg2[AsO4]3 rt) Crystal Structure

General Information

  • Phase Label(s): NaCa2Mg2[AsO4]3 rt
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): berzeliite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 20 variables; 343 reflections; I > 2σ(I), R = 0.0155; wR = 0.0381
  • Sample Detail(s): berzeliite sample from Sweden, Värmland, Langban, electron microprobe analysis; (Ca2.13Na0.90)(Mg1.68Mn2+0.29)(As5+2.89Si0.07V5+0.02P0.02)O12.02, single crystal (determination of cell parameters), single crystal, 0.070×0.250×0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa2Mg2[AsO4]3
  • Alphabetic Formula: [AsO4]3Ca2Mg2Na
  • Published Formula: NaCa2Mg2(As5+O4)3
  • Refined Formula: As2.85Ca2.10Mg1.76Mn0.24Na0.90O12Si0.12
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.01 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_1228860

  • 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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