Inorganic Solid Phases

(Ca,REE,Th)15Fe3+(SiO4)3(B3Si3O18)(BO3)(As5+O4)(As3+O3)x(NaF3)1−xF7·0.2H2O (Na0.6Ca8Th2.4Ce4.6Fe[SiO4]6B3[BO3][AsO3]0.4[AsO4]O6F8.8) Crystal Structure

General Information

  • Phase Label(s): Na0.6Ca8Th2.4Ce4.6Fe[SiO4]6B3[BO3][AsO3]0.4[AsO4]O6F8.8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vicanite-(Ce)
  • Pearson Symbol: hR240
  • Space Group: 160
  • Phase Prototype: Na0.6Ca8Th2.4Ce4.6Fe[SiO4]6B3[BO3][AsO3]0.4[AsO4]O6F8.8
  • Measurement Detail(s): automatic diffractometer; 50 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, arsenate, orthoborate, orthosilicate, borate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 162 variables; 1394 reflections; I > 4σ(I), R = 0.0318; wR = 0.0775
  • Sample Detail(s): vicanite sample from Italy, Latium, Vico volcanic complex, Tre Croci di Vetralla, electron microprobe analysis; Ca8.03Ce2.32La1.95Th1.82Pr0.44Nd0.28U0.19As5+0.86P0.14As3+0.34Na0.12Fe3+0.57Ti0.05Al0.08Si6.07B4.00O36.58F10.42, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.6Ca8Th2.4Ce4.6Fe[SiO4]6B3[BO3][AsO3]0.4[AsO4]O6F8.8
  • Alphabetic Formula: [AsO3]0.4[AsO4]B3[BO3]Ca8Ce4.6F8.8FeNa0.6O6[SiO4]6Th2.4
  • Published Formula: (Ca,REE,Th)15Fe3+(SiO4)3(B3Si3O18)(BO3)(As5+O4)(As3+O3)x(NaF3)1−xF7·0.2H2O
  • Refined Formula: Al0.18As1.19B4Ca8.01Ce2.33F8.75Fe0.82H0.42La2.21Na0.58O38.46P0.23Si6Th2.45
  • Wyckoff Sequence: 160,c4b16a8
  • Z Formula Units: 3
  • Density: ρ = 4.83 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_1811843

  • 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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