data_global
_amcsd_formula_title 'Ba Ni O5 Yb2'
loop_
_publ_author_name
'Salinas-Sanchez A'
'Saez-Puche R'
'Rodriguez-Carvajal J'
'Martinez J'
_journal_name_full 'Solid State Communications'
_journal_volume 78 
_journal_year 1991
_journal_page_first 481
_journal_page_last 488
_publ_section_title
;
 Structural characterization of R2BaNiO5 (R=Tm and Yb): polymorphism for R=Tm
 _cod_database_code 1006038
;
_database_code_amcsd 0015485
_chemical_formula_sum 'Ba Yb2 Ni O5'
_cell_length_a 12.1583
_cell_length_b 5.64232
_cell_length_c 6.9545
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 477.086
_exptl_crystal_density_diffrn      8.661
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.90380   0.25000   0.92500
Yb1   0.29150   0.25000   0.12410
Yb2   0.07440   0.25000   0.39940
Ni1   0.65600   0.25000   0.69550
O1   0.43590  -0.00300   0.16990
O2   0.22500   0.50010   0.36420
O3   0.10370   0.25000   0.07910