Inorganic Solid Phases

(Y1.21Ca0.28Nd0.06Gd0.06Dy0.06Yb0.05Er0.04Ce0.04Sm0.03Ho0.03Lu0.02Pr0.01Tm0.01Tb0.01La0.01)Fe0.23Be2.07Si2.07O8.19(OH)1.55 (Ca0.3Be2Y1.3Dy0.4Fe0.2[SiO4]2O0.1[OH]1.9) Crystal Structure

General Information

  • Phase Label(s): Ca0.3Be2Y1.3Dy0.4Fe0.2[SiO4]2O0.1[OH]1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hingganite-(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; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 80 variables; 1129 reflections; I > 2σ(I), R = 0.0329
  • Sample Detail(s): hingganite sample from Japan, Gifu Prefecture, Hirukawa mine, Tahara, electron microprobe analysis; (Y1.21Ca0.28Nd0.06Gd0.06Dy0.06Yb0.05Er0.04Ce0.04Sm0.03Ho0.03Lu0.02Pr0.01Tm0.01Tb0.01La0.01)Fe0.23Be2.07Si2.07O8.19(OH)1.55, single crystal (determination of cell parameters), single crystal, 0.05×0.07×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.3Be2Y1.3Dy0.4Fe0.2[SiO4]2O0.1[OH]1.9
  • Alphabetic Formula: Be2Ca0.3Dy0.4Fe0.2O0.1[OH]1.9[SiO4]2Y1.3
  • Published Formula: (Y1.21Ca0.28Nd0.06Gd0.06Dy0.06Yb0.05Er0.04Ce0.04Sm0.03Ho0.03Lu0.02Pr0.01Tm0.01Tb0.01La0.01)Fe0.23Be2.07Si2.07O8.19(OH)1.55
  • Refined Formula: Be2Ca0.30Dy0.40Fe0.24H0.40O10Si2Y1.30
  • Wyckoff Sequence: 14,e8d
  • Z Formula Units: 2
  • Density: ρ = 4.10 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_1218444

  • 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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