Inorganic Solid Phases

(Ca3TR)Al2(SO4)F12·11H2O(OH) (Ca3CeAl2[SO4][OH]F12[H2O]11) Crystal Structure

General Information

  • Phase Label(s): Ca3CeAl2[SO4][OH]F12[H2O]11
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chukhrovite-(Ce)
  • Pearson Symbol: cF280
  • Space Group: 203
  • Phase Prototype: (Ca0.75Ce0.25)4Al2[SO4]F12([OH]0.08[H2O]0.92)12
  • Measurement Detail(s): oscillation photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.13
  • Sample Detail(s): chukhrovite sample from Kazakhstan, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3CeAl2[SO4][OH]F12[H2O]11
  • Alphabetic Formula: Al2Ca3CeF12[H2O]11[OH][SO4]
  • Published Formula: (Ca3TR)Al2(SO4)F12·11H2O(OH)
  • Refined Formula: Al2Ca3CeF12H23O16S
  • Wyckoff Sequence: 203,g2e2da
  • Z Formula Units: 8
  • Density: ρ = 2.39 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1600329

  • 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)

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