Inorganic Solid Phases

(Ti,Nb,Al,Zr)(Na,Ca)3(Ca,Ce)4(Si2O7)2(O,F)4; Ca3.35Na2.11K0.06Ce1.05Th0.04Nb0.33Zr0.07Ti0.52Fe0.09Mg0.08Al0.09[Si2O7]2OF3 (Na2.1Ca3.7Ce1.1Ti0.6Nb0.3Al0.1[Si2O7]2OF3) Crystal Structure

General Information

  • Phase Label(s): Na2.1Ca3.7Ce1.1Ti0.6Nb0.3Al0.1[Si2O7]2OF3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rinkite-(Ce)
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: Na2.1Ca3.7Ce1.1(Ti0.6Nb0.3Al0.1)[Si2O7]2(O0.25F0.75)4
  • Measurement Detail(s): Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1306 reflections, R = 0.055; wR = 0.074
  • Sample Detail(s): rinkite sample from Greenland, Ilimaussaq complex, Kangerdluarssuk, sample prepared from rinkite, chemical analysis; Ca3.35Na2.11K0.06Ce1.05Th0.04Nb0.33Zr0.07Ti0.52Fe0.09Mg0.08Al0.09[Si2O7]2OF3, single crystal (determination of cell parameters), single crystal, 0.42 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.1Ca3.7Ce1.1Ti0.6Nb0.3Al0.1[Si2O7]2OF3
  • Alphabetic Formula: Al0.1Ca3.7Ce1.1F3Na2.1Nb0.3O[Si2O7]2Ti0.6
  • Published Formula: (Ti,Nb,Al,Zr)(Na,Ca)3(Ca,Ce)4(Si2O7)2(O,F)4; Ca3.35Na2.11K0.06Ce1.05Th0.04Nb0.33Zr0.07Ti0.52Fe0.09Mg0.08Al0.09[Si2O7]2OF3
  • Refined Formula: Al0.09Ca3.37Ce1.05F3Fe0.09K0.06Mg0.08Na2.18Nb0.33O15Si4Th0.04Ti0.51Zr0.07
  • Wyckoff Sequence: 14,e14ba
  • Z Formula Units: 2
  • Density: ρ = 3.50 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

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_1100092

  • 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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