Inorganic Solid Phases

Ca1.03Y4.73Nd0.02Gd0.34Dy0.43Er0.31Yb0.22Al1.87Si4.03F6.08O17.92 (Ca1.05Y4.35Gd0.76Dy0.34Er0.25Yb0.26Al1.86Si4.03O17.68F6.32 orth) Crystal Structure

General Information

  • Phase Label(s): Ca1.05Y4.35Gd0.76Dy0.34Er0.25Yb0.26Al1.86Si4.03O17.68F6.32 orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cayalsite-(Y) 1O
  • Pearson Symbol: oP86
  • Space Group: 50
  • Phase Prototype: Ca1.02Y4.73Gd0.36Dy0.43Er0.31Yb0.22Al1.87Si4.03O17.92F6.08
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, not specified; 89 variables; 1486 reflections; I > 3σ(I), R = 0.022
  • Sample Detail(s): cayalsite-(Y) sample from Norway, Tysfjord, Ovre Lapplegeret, electron microprobe analysis; Ca1.027Y4.729Ce0.003Nd0.015Sm0.002Gd0.342Dy0.431Er0.308Yb0.219Al1.871Si4.027F6.078O17.922, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.02Y4.73Gd0.36Dy0.43Er0.31Yb0.22Al1.87Si4.03O17.92F6.08
  • Alphabetic Formula: Al1.87Ca1.02Dy0.43Er0.31F6.08Gd0.36O17.92Si4.03Y4.73Yb0.22
  • Published Formula: Ca1.03Y4.73Nd0.02Gd0.34Dy0.43Er0.31Yb0.22Al1.87Si4.03F6.08O17.92
  • Refined Formula: Al2Ca0.85Dy0.42Er0.30F5.85Gd0.33Nd0.02O18.15Si4Y4.88Yb0.21
  • Wyckoff Sequence: 50,m8lkjigc
  • Z Formula Units: 2
  • Density: ρ = 4.83 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_1240853

  • 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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