data_global
_amcsd_formula_title 'Nd1.8 Ni O3.72 Sr0.2'
loop_
_publ_author_name
'Medarde M'
'Rodriguez-Carvajal J'
'Vallet-Regi M'
'Gonzalez-Calbet J'
'Alonso J'
_journal_name_full 'Physical Review B - Condensed Matter'
_journal_volume 49 
_journal_year 1994
_journal_page_first 8591
_journal_page_last 8599
_publ_section_title
;
 Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4-
 type nickelate with monoclinic symmetry and ordered oxygen vacancies
 _cod_database_code 1006140
;
_database_code_amcsd 0015288
_chemical_formula_sum '(Nd1.8 Sr.2) Ni O3.7'
_cell_length_a 5.3578
_cell_length_b 5.4394
_cell_length_c 12.250
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90.788
_cell_volume 356.971
_exptl_crystal_density_diffrn      7.351
_symmetry_space_group_name_H-M 'B 1 1 2/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '1/2-x,1/2-y,z'
  '-x,1/2-y,1/2+z'
  '1/2+x,1/2+y,-z'
  '+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1   0.00000  -0.00800   0.36260   0.90000
Sr1   0.00000  -0.00800   0.36260   0.10000
Ni1   0.00000   0.00000   0.00000   1.00000
O1   0.25000   0.25000  -0.01100   0.76000
O2   0.25000   0.25000   0.48900   0.94000
O3   0.00000   0.05300   0.17810   1.00000