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Ceria (100) and (110) surfaces

data_global

_chemical_name_mineral 'Cerianite-(Ce)'

loop_

_publ_author_name

'Wyckoff R W G'

_journal_name_full 'Crystal Structures'

_journal_volume 1

_journal_year 1963

_journal_page_first 239

_journal_page_last 444

_publ_section_title

;

 Second edition. Interscience Publishers, New York, New York

 Fluorite structure

;

_database_code_amcsd 0011686

_chemical_formula_sum 'Ce O2'

_cell_length_a 5.4110

_cell_length_b 5.4110

_cell_length_c 5.4110

_cell_angle_alpha 90

_cell_angle_beta 90

_cell_angle_gamma 90

_cell_volume 158.428

_exptl_crystal_density_diffrn      7.216

_symmetry_space_group_name_H-M 'F m 3 m'

loop_

_space_group_symop_operation_xyz

  'x,y,z'

  'x,1/2+y,1/2+z'

  '1/2+x,y,1/2+z'

  '1/2+x,1/2+y,z'

  'z,-x,y'

  'z,1/2-x,1/2+y'

  '1/2+z,-x,1/2+y'

  '1/2+z,1/2-x,y'

  '-y,z,-x'

  '-y,1/2+z,1/2-x'

  '1/2-y,z,1/2-x'

  '1/2-y,1/2+z,-x'

  'x,-y,z'

  'x,1/2-y,1/2+z'

  '1/2+x,-y,1/2+z'

  '1/2+x,1/2-y,z'

  '-z,x,-y'

  '-z,1/2+x,1/2-y'

  '1/2-z,x,1/2-y'

  '1/2-z,1/2+x,-y'

  'y,-z,x'

  'y,1/2-z,1/2+x'

  '1/2+y,-z,1/2+x'

  '1/2+y,1/2-z,x'

  '-x,y,-z'

  '-x,1/2+y,1/2-z'

  '1/2-x,y,1/2-z'

  '1/2-x,1/2+y,-z'

  'x,-z,-y'

  'x,1/2-z,1/2-y'

  '1/2+x,-z,1/2-y'

  '1/2+x,1/2-z,-y'

  '-z,y,x'

  '-z,1/2+y,1/2+x'

  '1/2-z,y,1/2+x'

  '1/2-z,1/2+y,x'

  'y,-x,-z'

  'y,1/2-x,1/2-z'

  '1/2+y,-x,1/2-z'

  '1/2+y,1/2-x,-z'

  '-x,z,y'

  '-x,1/2+z,1/2+y'

  '1/2-x,z,1/2+y'

  '1/2-x,1/2+z,y'

  'z,-y,-x'

  'z,1/2-y,1/2-x'

  '1/2+z,-y,1/2-x'

  '1/2+z,1/2-y,-x'

  '-y,x,z'

  '-y,1/2+x,1/2+z'

  '1/2-y,x,1/2+z'

  '1/2-y,1/2+x,z'

  'x,z,y'

  'x,1/2+z,1/2+y'

  '1/2+x,z,1/2+y'

  '1/2+x,1/2+z,y'

  '-z,-y,-x'

  '-z,1/2-y,1/2-x'

  '1/2-z,-y,1/2-x'

  '1/2-z,1/2-y,-x'

  'y,x,z'

  'y,1/2+x,1/2+z'

  '1/2+y,x,1/2+z'

  '1/2+y,1/2+x,z'

  '-x,-z,-y'

  '-x,1/2-z,1/2-y'

  '1/2-x,-z,1/2-y'

  '1/2-x,1/2-z,-y'

  'z,y,x'

  'z,1/2+y,1/2+x'

  '1/2+z,y,1/2+x'

  '1/2+z,1/2+y,x'

  '-y,-x,-z'

  '-y,1/2-x,1/2-z'

  '1/2-y,-x,1/2-z'

  '1/2-y,1/2-x,-z'

  'z,x,-y'

  'z,1/2+x,1/2-y'

  '1/2+z,x,1/2-y'

  '1/2+z,1/2+x,-y'

  '-y,-z,x'

  '-y,1/2-z,1/2+x'

  '1/2-y,-z,1/2+x'

  '1/2-y,1/2-z,x'

  'x,y,-z'

  'x,1/2+y,1/2-z'

  '1/2+x,y,1/2-z'

  '1/2+x,1/2+y,-z'

  '-z,-x,y'

  '-z,1/2-x,1/2+y'

  '1/2-z,-x,1/2+y'

  '1/2-z,1/2-x,y'

  'y,z,-x'

  'y,1/2+z,1/2-x'

  '1/2+y,z,1/2-x'

  '1/2+y,1/2+z,-x'

  '-x,-y,z'

  '-x,1/2-y,1/2+z'

  '1/2-x,-y,1/2+z'

  '1/2-x,1/2-y,z'

  '-z,x,y'

  '-z,1/2+x,1/2+y'

  '1/2-z,x,1/2+y'

  '1/2-z,1/2+x,y'

  'y,-z,-x'

  'y,1/2-z,1/2-x'

  '1/2+y,-z,1/2-x'

  '1/2+y,1/2-z,-x'

  '-x,y,z'

  '-x,1/2+y,1/2+z'

  '1/2-x,y,1/2+z'

  '1/2-x,1/2+y,z'

  'z,-x,-y'

  'z,1/2-x,1/2-y'

  '1/2+z,-x,1/2-y'

  '1/2+z,1/2-x,-y'

  '-y,z,x'

  '-y,1/2+z,1/2+x'

  '1/2-y,z,1/2+x'

  '1/2-y,1/2+z,x'

  'x,-y,-z'

  'x,1/2-y,1/2-z'

  '1/2+x,-y,1/2-z'

  '1/2+x,1/2-y,-z'

  '-x,z,-y'

  '-x,1/2+z,1/2-y'

  '1/2-x,z,1/2-y'

  '1/2-x,1/2+z,-y'

  'z,-y,x'

  'z,1/2-y,1/2+x'

  '1/2+z,-y,1/2+x'

  '1/2+z,1/2-y,x'

  '-y,x,-z'

  '-y,1/2+x,1/2-z'

  '1/2-y,x,1/2-z'

  '1/2-y,1/2+x,-z'

  'x,-z,y'

  'x,1/2-z,1/2+y'

  '1/2+x,-z,1/2+y'

  '1/2+x,1/2-z,y'

  '-z,y,-x'

  '-z,1/2+y,1/2-x'

  '1/2-z,y,1/2-x'

  '1/2-z,1/2+y,-x'

  'y,-x,z'

  'y,1/2-x,1/2+z'

  '1/2+y,-x,1/2+z'

  '1/2+y,1/2-x,z'

  '-x,-z,y'

  '-x,1/2-z,1/2+y'

  '1/2-x,-z,1/2+y'

  '1/2-x,1/2-z,y'

  'z,y,-x'

  'z,1/2+y,1/2-x'

  '1/2+z,y,1/2-x'

  '1/2+z,1/2+y,-x'

  '-y,-x,z'

  '-y,1/2-x,1/2+z'

  '1/2-y,-x,1/2+z'

  '1/2-y,1/2-x,z'

  'x,z,-y'

  'x,1/2+z,1/2-y'

  '1/2+x,z,1/2-y'

  '1/2+x,1/2+z,-y'

  '-z,-y,x'

  '-z,1/2-y,1/2+x'

  '1/2-z,-y,1/2+x'

  '1/2-z,1/2-y,x'

  'y,x,-z'

  'y,1/2+x,1/2-z'

  '1/2+y,x,1/2-z'

  '1/2+y,1/2+x,-z'

  '-z,-x,-y'

  '-z,1/2-x,1/2-y'

  '1/2-z,-x,1/2-y'

  '1/2-z,1/2-x,-y'

  'y,z,x'

  'y,1/2+z,1/2+x'

  '1/2+y,z,1/2+x'

  '1/2+y,1/2+z,x'

  '-x,-y,-z'

  '-x,1/2-y,1/2-z'

  '1/2-x,-y,1/2-z'

  '1/2-x,1/2-y,-z'

  'z,x,y'

  'z,1/2+x,1/2+y'

  '1/2+z,x,1/2+y'

  '1/2+z,1/2+x,y'

  '-y,-z,-x'

  '-y,1/2-z,1/2-x'

  '1/2-y,-z,1/2-x'

  '1/2-y,1/2-z,-x'

loop_

_atom_site_label

_atom_site_fract_x

_atom_site_fract_y

_atom_site_fract_z

Ce   0.00000   0.00000   0.00000

O   0.25000   0.25000   0.25000



Based on template by A. Herráez as modified by J. Gutow
Page skeleton and JavaScript generated by export to web function using Jmol 13.0.2 2012-09-03 15:44 on Dec 11, 2012.