data_global
_amcsd_formula_title 'Ni O3 Sm'
loop_
_publ_author_name
'Lacorre P'
'Torrance J'
'Pannetier J'
'Nazzal A'
'Wang P'
'Huang T'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 91 
_journal_year 1991
_journal_page_first 225
_journal_page_last 237
_publ_section_title
;
 Synthesis, crystal structure and properties of metallic PrNiO3:
 comparison with metallic NdNiO3 and semiconducting SmNiO3
 _cod_database_code 1000304
;
_database_code_amcsd 0013707
_chemical_formula_sum 'Sm Ni O3'
_cell_length_a 5.3283
_cell_length_b 5.4374
_cell_length_c 7.5675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 219.246
_exptl_crystal_density_diffrn      7.787
_symmetry_space_group_name_H-M 'P b n m'
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,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sm1   0.98940   0.05140   0.25000
Ni1   0.50000   0.00000   0.00000
O1   0.09510   0.48130   0.25000
O2   0.71190   0.28900   0.04260