data_global
_chemical_name_mineral 'Srilankite'
loop_
_publ_author_name
'Willgallis A'
'Hartl H'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 164 
_journal_year 1983
_journal_page_first 59
_journal_page_last 66
_publ_section_title
;
 (Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur
;
_database_code_amcsd 0010854
_chemical_compound_source 'Rakwana, Sri Lanka'
_chemical_formula_sum '(Zr.33 Ti.67) O2'
_cell_length_a 4.706
_cell_length_b 5.553
_cell_length_c 5.024
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 131.289
_exptl_crystal_density_diffrn      4.765
_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
Zr   0.00000   0.18370   0.25000   0.33000
Ti   0.00000   0.18370   0.25000   0.67000
O   0.27290   0.38900   0.42250   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Zr 0.01130 0.01260 0.01270 0.00000 -0.00380 0.00000
Ti 0.01130 0.01260 0.01270 0.00000 -0.00380 0.00000
O 0.01500 0.01100 0.01800 -0.00200 0.00400 0.00400