Inorganic Solid Phases

(Ca,RE)CaNa2Be2Si4O12(F,O)2 (Na0.9CaBeCe0.08Si2O6.1F0.9) Crystal Structure

General Information

  • Phase Label(s): Na0.9CaBeCe0.08Si2O6.1F0.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): leucophanite
  • Pearson Symbol: aP48
  • Space Group: 1
  • Phase Prototype: Na0.9CaBeCe0.08Si2O6.1F0.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 6288 reflections; I > 10σ(I), R = 0.013
  • Sample Detail(s): leucophanite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; 3 wt.% RE2O3 (RE= Ce, Nd, La, Pr), twinned crystal (determination of cell parameters), twinned crystal, 0.14×0.23×0.41 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.9CaBeCe0.08Si2O6.1F0.9
  • Alphabetic Formula: BeCaCe0.08F0.9Na0.9O6.1Si2
  • Published Formula: (Ca,RE)CaNa2Be2Si4O12(F,O)2
  • Refined Formula: BeCa0.98Ce0.08F0.87Na0.94O6.13Si2
  • Wyckoff Sequence: 1,a48
  • Z Formula Units: 4
  • Density: ρ = 3.05 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_1409531

  • 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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