data_1001374
_chemical_name_systematic          'Calcium cobalt diphosphate'
_chemical_formula_structural       'Ca Co P2 O7'
_chemical_formula_sum              'Ca 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                1751
_journal_page_last                 1756
_cell_length_a                     6.5476(3)
_cell_length_b                     6.5441(6)
_cell_length_c                     6.5743(5)
_cell_angle_alpha                  66.407(6)
_cell_angle_beta                   83.264(5)
_cell_angle_gamma                  87.579(6)
_cell_volume                       256.4
_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
  Ca2+   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
  Ca1   Ca2+   2 i 0.12125(6) 0.79788(7) 0.73522(6) 1.  0 d
  Co1   Co2+   2 i 0.35252(4) 0.22913(4) 0.89645(5) 1.  0 d
  P1    P5+    2 i 0.65607(7) 0.67868(8) 0.63701(8) 1.  0 d
  P2    P5+    2 i 0.14190(7) 0.74041(7) 0.23083(7) 1.  0 d
  O1    O2-    2 i 0.0590(2) 0.8592(2) 0.3759(2) 1.  0 d
  O2    O2-    2 i 0.3143(3) 0.8665(3) 0.0487(3) 1.  0 d
  O3    O2-    2 i 0.7372(2) 0.7458(2) 0.7893(3) 1.  0 d
  O4    O2-    2 i 0.3760(3) 0.1505(3) 0.6006(3) 1.  0 d
  O5    O2-    2 i 0.5843(2) 0.4227(3) 0.2534(3) 1.  0 d
  O6    O2-    2 i 0.9779(2) 0.6759(3) 0.1204(2) 1.  0 d
  O7    O2-    2 i 0.7603(3) 0.4790(2) 0.6033(2) 1.  0 d
_refine_ls_R_factor_all            0.029