Inorganic Solid Phases

(Fe,Mn,Zn,Ti)RE2Na0−2(Ca,Na)8(Si,Be)20(O,OH,F)48 (NaCaBe16LaCeFeSi14O41[OH]4F3) Crystal Structure

General Information

  • Phase Label(s): NaCaBe16LaCeFeSi14O41[OH]4F3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): semenovite-(Ce)
  • Pearson Symbol: oP164
  • Space Group: 58
  • Phase Prototype: NaCaBe16LaCeFeSi14O41[OH]4F3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; twinning mechanism studied, 1366 reflections; F2 > 3σ(F2), R = 0.050
  • Sample Detail(s): semenovite sample from Greenland, Ilimaussaq complex, Narssaq Kommune, chemical analysis; 45.1 wt.% SiO2, 18.0 wt.% RE2O3, 7.8 wt.% CaO, 11.5 wt.% Na2O, 1.9 wt.% FeO et al., twinned crystal (determination of cell parameters), twinned crystal, 0.11×0.21×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCaBe16LaCeFeSi14O41[OH]4F3
  • Alphabetic Formula: Be16CaCeF3FeLaNaO41[OH]4Si14
  • Published Formula: (Fe,Mn,Zn,Ti)RE2Na0−2(Ca,Na)8(Si,Be)20(O,OH,F)48
  • Refined Formula: Be6Ca2.60Ce0.79F3FeH4La1.20Na6.81O45Si14
  • Wyckoff Sequence: 58,h14g10fecb
  • Z Formula Units: 2
  • Density: ρ = 2.99 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615861

  • 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