Inorganic Solid Phases

NaCa2LuSi2O7F2 (NaCa2Lu[Si2O7]F2) Crystal Structure

General Information

  • Phase Label(s): NaCa2Lu[Si2O7]F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: Na1.3Ca(Zr0.7Ti0.3)Mn0.4Fe0.4[Si2O7]O([OH]0.5F0.5)
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 136 variables; 1604 reflections; I > 3σ(I), R = 0.041; wR = 0.050
  • Sample Detail(s): cuspidine sample from synthetic, sample prepared from Ca10[PO4]6[OH]2, Lu2O3, CaF2, SiO2, NaF, electron microprobe analysis; 24.57 wt.% SiO2, 0.13 wt.% P2O5, 23.12 wt.% CaO, 41.25 wt.% Lu2O3, 6.48 wt.% Na2O, twinned crystal (determination of cell parameters), single crystal, 0.10×0.11×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa2Lu[Si2O7]F2
  • Alphabetic Formula: Ca2F2LuNa[Si2O7]
  • Published Formula: NaCa2LuSi2O7F2
  • Refined Formula: Ca2F2LuNaO7Si2
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.06 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_1013146

  • 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

    Citation copied