data_global
_amcsd_formula_title 'Ba O4 Sc2'
loop_
_publ_author_name
'Agafonov V'
'Kahn A'
'Michel D'
'Guymont M'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 18 
_journal_year 1983
_journal_page_first 975
_journal_page_last 981
_publ_section_title
;
 Crystal structure of Ba Sc2 O4; its relation with Perovskite
 _cod_database_code 1001251
;
_database_code_amcsd 0014313
_chemical_formula_sum 'Ba Sc2 O4'
_cell_length_a 9.84
_cell_length_b 5.81
_cell_length_c 20.65
_cell_angle_alpha 90
_cell_angle_beta 90.
_cell_angle_gamma 90
_cell_volume 1180.569
_exptl_crystal_density_diffrn      4.916
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.10900   0.25000
Ba2   0.33440   0.10900   0.13850
Sc1   0.16620   0.60800   0.19690
Sc2   0.16400   0.61900   0.05300
Sc3   0.00280   0.11700   0.06970
O1   0.00000   0.57000   0.25000
O2   0.26400   0.37300   0.24800
O3   0.06500   0.83900   0.12300
O4   0.10300   0.35600   0.12100
O5   0.33600   0.65300   0.12100
O6   0.15300   0.94300   0.00250
O7   0.00000   0.50000   0.00000