Inorganic Solid Phases

NaFe2+(REE7Ca5Y3)(SiO4)4(Si3B2PO18)(BO3)F11 (Na0.83Ca5.52Y2.60Ce6.95Fe0.58Si6.78B2.54[BO3]P0.54O33.39F11.61) Crystal Structure

General Information

  • Phase Label(s): Na0.83Ca5.52Y2.60Ce6.95Fe0.58Si6.78B2.54[BO3]P0.54O33.39F11.61
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): laptevite-(Ce)
  • Pearson Symbol: hR237
  • Space Group: 160
  • Phase Prototype: Ca3.48Y4.4Sm7.9Fe0.3Al0.7Si6.7B3As0.52O36.81F11.19
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, borate, phosphate, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 150 variables; 924 reflections; F > 4σ(F), R = 0.0387; wR = 0.1039
  • Sample Detail(s): laptevite-(Ce) sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, Alai Mountain Range, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.05×0.07×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.83Ca5.52Y2.60Ce6.95Fe0.58Si6.78B2.54[BO3]P0.54O33.39F11.61
  • Alphabetic Formula: B2.54[BO3]Ca5.52Ce6.95F11.61Fe0.58Na0.83O33.39P0.54Si6.78Y2.60
  • Published Formula: NaFe2+(REE7Ca5Y3)(SiO4)4(Si3B2PO18)(BO3)F11
  • Refined Formula: B3.51Ca5.97Ce6.52F11.60Fe0.57Mn0.31Na0.81O36.40P0.54Si6.79Sr0.06Th0.03Ti0.10U0.06Y2.55Zr0.02
  • Wyckoff Sequence: 160,c4b16a7
  • Z Formula Units: 3
  • Density: ρ = 4.49 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_1638213

  • 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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