Inorganic Solid Phases

(Y0.42REE0.13Ca0.45)(Fe2+0.125Mn0.025)[SiO4](B0.5Be0.5)[O0.35(OH)0.65] (Ca0.9BeY0.84Ce0.26Mn0.05Fe0.25[SiO4]2BO0.7[OH]1.3) Crystal Structure

General Information

  • Phase Label(s): Ca0.9BeY0.84Ce0.26Mn0.05Fe0.25[SiO4]2BO0.7[OH]1.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): calcybeborosilite-(Y)
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Be2(Y0.7Nd0.15Gd0.05Dy0.1)2Fe0.86[SiO4]2(O0.86[OH]0.14)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, borate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 775 reflections; F > 3σ(F), R = 0.062
  • Sample Detail(s): calcybeborosilite sample from, electron microprobe analysis; (Ca0.94REE0.91U0.03Th0.01)(Fe2+0.25Mn0.05)(Be1.04B0.96)[SiO4]2(OH1.63O0.33F0.04), single crystal (determination of cell parameters), single crystal, 0.25×0.30×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.9BeY0.84Ce0.26Mn0.05Fe0.25[SiO4]2BO0.7[OH]1.3
  • Alphabetic Formula: BBeCa0.9Ce0.26Fe0.25Mn0.05O0.7[OH]1.3[SiO4]2Y0.84
  • Published Formula: (Y0.42REE0.13Ca0.45)(Fe2+0.125Mn0.025)[SiO4](B0.5Be0.5)[O0.35(OH)0.65]
  • Refined Formula: BBeCa0.90Ce0.26Fe0.25H1.30Mn0.05O10Si2Y0.84
  • Wyckoff Sequence: 14,e8d
  • Z Formula Units: 2
  • Density: ρ = 3.74 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012959

  • 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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