data_1001375
_chemical_name_systematic          'Barium cobalt diphosphate'
_chemical_formula_structural       'Ba Co P2 O7'
_chemical_formula_sum              'Ba Co O7 P2'
_publ_section_title
;
Les pyrophosphates A(II)~x~ M P~2~ O~7~: Synthese et etude structurale
de Ba Co P~2~ O~7~ et Ba Ni P~2~ O~7~
;
loop_
_publ_author_name
  'Riou, D'
  'Labbe, P'
  'Goreaud, M'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_coden_ASTM                CHDCAQ
_journal_volume                    307
_journal_year                      1988
_journal_page_first                903
_journal_page_last                 907
_cell_length_a                     5.3230(6)
_cell_length_b                     7.5799(4)
_cell_length_c                     7.1174(3)
_cell_angle_alpha                  101.217(4)
_cell_angle_beta                   84.191(8)
_cell_angle_gamma                  89.319(8)
_cell_volume                       280.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Co2+   2.000
  P5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ba1   Ba2+   2 i 0.2135(1) 0.06964(6) 0.22740(7) 1.  0 d
  Co1   Co2+   2 i 0.1983(2) 0.6043(2) 0.3744(3) 1.  0 d
  P1    P5+    2 i 0.7096(4) 0.4047(3) 0.1849(4) 1.  0 d
  P2    P5+    2 i 0.7070(4) 0.7911(3) 0.2713(3) 1.  0 d
  O1    O2-    2 i 0.933(1) 0.8033(7) 0.3895(8) 1.  0 d
  O2    O2-    2 i 0.463(1) 0.7990(8) 0.3968(9) 1.  0 d
  O3    O2-    2 i 0.715(1) 0.9313(8) 0.1503(8) 1.  0 d
  O4    O2-    2 i 0.733(1) 0.5964(8) 0.1269(8) 1.  0 d
  O5    O2-    2 i 0.103(1) 0.5941(8) 0.662(1) 1.  0 d
  O6    O2-    2 i 0.778(2) 0.267(1) 0.007(2) 1.  0 d
  O7    O2-    2 i 0.558(1) 0.6027(7) 0.727(1) 1.  0 d
_refine_ls_R_factor_all            0.04