data_global
_amcsd_formula_title 'Ba Ni O7 P2'
loop_
_publ_author_name
'Riou D'
'Leligny H'
'Pham C'
'Labbe P'
'Raveau B'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 47 
_journal_year 1991
_journal_page_first 608
_journal_page_last 617
_publ_section_title
;
 BaNiP2O7, a triclinic diphosphate with a modulated structure ofthe
 displacive type
 _cod_database_code 1001511
;
_database_code_amcsd 0010491
_chemical_formula_sum 'Ba Ni P2 O7'
_cell_length_a 5.317
_cell_length_b 7.580
_cell_length_c 7.116
_cell_angle_alpha 101.26
_cell_angle_beta 84.48
_cell_angle_gamma 89.49
_cell_volume 279.858
_exptl_crystal_density_diffrn      4.390
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.18410   0.06670   0.21715   0.50000
Ba2   0.22940   0.07410   0.23475   0.50000
Ni1   0.17980   0.59110   0.40690   0.50000
Ni2   0.19220   0.61530   0.33160   0.50000
P1   0.70360   0.39400   0.21940   0.50000
P2   0.70720   0.42180   0.16110   0.50000
P3   0.69740   0.78960   0.27360   1.00000
O1   0.92500   0.80130   0.39340   1.00000
O2   0.44600   0.79590   0.39700   1.00000
O3   0.71000   0.93370   0.15210   1.00000
O4   0.72900   0.60080   0.12760   1.00000
O5   0.90800   0.41000   0.30300   0.50000
O6   0.88600   0.41100   0.38100   0.50000
O7   0.77200   0.29800  -0.03300   0.50000
O8   0.79400   0.24200   0.05500   0.50000
O9   0.56300   0.60170   0.72200   1.00000