Inorganic Solid Phases

(Y,REE,Ca)3(Na,Ca)6Mn2+Si9Be5(O,OH,F)34 (Na4.5Ca3.0Be5Y0.9Nd0.6MnSi9O29[OH]2.5F2.5) Crystal Structure

General Information

  • Phase Label(s): Na4.5Ca3.0Be5Y0.9Nd0.6MnSi9O29[OH]2.5F2.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bussyite-(Y)
  • Pearson Symbol: mS240
  • Space Group: 5
  • Phase Prototype: (Na0.75Ca0.25)6(Ca0.5Y0.3Nd0.2)3Be5MnSi9O29[OH]2.5F2.5
  • Measurement Detail(s): automatic diffractometer; 18223 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 6531 reflections; F > 4σ(F), R = 0.0325
  • Sample Detail(s): bussyite-(Y) sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; (Y0.874Nd0.221Dy0.154Gd0.142Sm0.108Er0.063Pr0.043La0.038Yb0.030Ho0.027Tb0.022Tm0.011Eu0.010Th0.105Nb0.020)(Ca0.789Ce0.211)[Na3.449Ca0.430K0.022Ba0.003]O24.107(OH)5.893(Mn0.538Fe0.072)(Si8.585Be5.075Al0.074)F2.386(OH)1.603Cl0.011, single crystal (determination of cell parameters), single crystal, 0.010×0.030×0.070 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4.5Ca3.0Be5Y0.9Nd0.6MnSi9O29[OH]2.5F2.5
  • Alphabetic Formula: Be5Ca3.0F2.5[OH]2.5MnNa4.5Nd0.6O29Si9Y0.9
  • Published Formula: (Y,REE,Ca)3(Na,Ca)6Mn2+Si9Be5(O,OH,F)34
  • Refined Formula: Be5.53Ca0.75F4Mn0.53Na6.08O30Si8.62Y1.73
  • Wyckoff Sequence: 5,c57b3a3
  • Z Formula Units: 4
  • Density: ρ = 3.26 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_1239896

  • 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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