Inorganic Solid Phases

(Y,REE)[B(OH)4](CO3) (Y0.9Sm0.1B[CO3][OH]4) Crystal Structure

General Information

  • Phase Label(s): Y0.9Sm0.1B[CO3][OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): moydite-(Y)
  • Pearson Symbol: oP80
  • Space Group: 61
  • Phase Prototype: (Y0.9Sm0.1)B[CO3][OH]4
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 87 variables; 1278 reflections; I > 3σ(I), R = 0.051; wR = 0.037
  • Sample Detail(s): moydite sample from Canada, Quebec, Papineau County, Evans-Lou, electron microprobe analysis; (Y0.68Ca0.02ce0.01Nd0.02Sm0.02Gd0.04Dy0.04Ho0.02), single crystal (determination of cell parameters), single crystal, 0.05×0.20×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y0.9Sm0.1B[CO3][OH]4
  • Alphabetic Formula: B[CO3][OH]4Sm0.1Y0.9
  • Published Formula: (Y,REE)[B(OH)4](CO3)
  • Refined Formula: BCH4O7Sm0.10Y0.90
  • Wyckoff Sequence: 61,c10
  • Z Formula Units: 8
  • Density: ρ = 3.13 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_1617876

  • 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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