Inorganic Solid Phases

(Y4.52REE6.82Ca2.65Na1.63Th0.19)(Fe0.74Ti0.19)(Si6.71P0.32B2.94)O34.02[OH]3.98F10.04 (Na1.8Ca2.7Y7.3Ce4.3Fe[SiO4]7B3O6[OH]4F10) Crystal Structure

General Information

  • Phase Label(s): Na1.8Ca2.7Y7.3Ce4.3Fe[SiO4]7B3O6[OH]4F10
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): okanoganite-(Y)
  • Pearson Symbol: hR234
  • Space Group: 160
  • Phase Prototype: Na1.8Ca2.7Y7.3Ce4.3Fe[SiO4]7B3O6[OH]4F10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, borate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F; 1857 reflections; F > 3σ(F), R = 0.0323; wR = 0.0380
  • Sample Detail(s): okanoganite sample from U.S.A. Colorado, Okanogan County, Golden Horn, Washington Pass, electron microprobe analysis; Y4.52La1.26Ce2.36Pr0.31Nd1.21Sm0.32Gd0.40Dy0.47Er0.26Ca2.65Na1.63Th0.19Fe0.74Ti0.19Li0.04Si6.71P0.32B2.94O34.02(OH)3.98F10.04, single crystal (determination of cell parameters), single crystal, 0.03×0.04×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.8Ca2.7Y7.3Ce4.3Fe[SiO4]7B3O6[OH]4F10
  • Alphabetic Formula: B3Ca2.7Ce4.3F10FeNa1.8O6[OH]4[SiO4]7Y7.3
  • Published Formula: (Y4.52REE6.82Ca2.65Na1.63Th0.19)(Fe0.74Ti0.19)(Si6.71P0.32B2.94)O34.02[OH]3.98F10.04
  • Refined Formula: B3Ca2.64Ce4.41F10Fe0.77H4NaO38P0.60Si6.40Ti0.23Y7.95
  • Wyckoff Sequence: 160,c4b16a6
  • Z Formula Units: 3
  • Density: ρ = 4.61 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121503

  • 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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