Inorganic Solid Phases

(Ce,REE,Ca)3(Na,H2O)6MnSi9Be5(O,OH)30(F,OH)4 (Na3.43Ca1.32Be4.61La0.23Ce1.88Mn0.5Si9.12O25.1[OH]6.23F2.67[H2O]2.5) Crystal Structure

General Information

  • Phase Label(s): Na3.43Ca1.32Be4.61La0.23Ce1.88Mn0.5Si9.12O25.1[OH]6.23F2.67[H2O]2.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bussyite-(Ce)
  • Pearson Symbol: mS244
  • Space Group: 15
  • Phase Prototype: Na3.43Ca1.32Be4.61La0.23Ce1.88Mn0.5Si9.12O25.1[OH]6.23F2.67[H2O]2.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1134 reflections; F > 4σ(F), R = 0.040
  • Sample Detail(s): bussyite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; (Ce0.823Nd0.373Y0.242Th0.173Pr0.103Sm0.079Gd0.078Eu0.008)(Ca0.775La0.225)[Na3.000[H2O]2.500Ca0.544K0.015](Mn0.485Na0.402Mg0.012)(Si8.897Be4.605Al0.222)[O,OH]30F2.67[OH]1.33, single crystal (determination of cell parameters), single crystal, 0.040×0.060×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.43Ca1.32Be4.61La0.23Ce1.88Mn0.5Si9.12O25.1[OH]6.23F2.67[H2O]2.5
  • Alphabetic Formula: Be4.61Ca1.32Ce1.88F2.67[H2O]2.5La0.23Mn0.5Na3.43O25.1[OH]6.23Si9.12
  • Published Formula: (Ce,REE,Ca)3(Na,H2O)6MnSi9Be5(O,OH)30(F,OH)4
  • Refined Formula: Be5.02Ca0.38Ce1.88F4H3La0.12Mn0.32Na5.49O30Si8.82
  • Wyckoff Sequence: 15,f29e3
  • Z Formula Units: 4
  • Density: ρ = 3.37 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]

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_1223937

  • 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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