data_global
_chemical_name_mineral 'Srilankite'
loop_
_publ_author_name
'Troitzsch U'
'Christy A G'
'Ellis D J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 504
_journal_page_last 514
_publ_section_title
;
 The crystal structure of disordered (Zr,Ti)O2 solid solution
 Sample: XTi = 0.450
;
_database_code_amcsd 0008984
_chemical_formula_sum '(Zr.55 Ti.45) O2'
_cell_length_a 4.8349
_cell_length_b 5.4801
_cell_length_c 5.0439
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 133.642
_exptl_crystal_density_diffrn      5.155
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
ZrM   0.00000   0.20110   0.25000   0.55000
TiM   0.00000   0.20110   0.25000   0.45000
O   0.26900   0.40000   0.43400   1.00000