data_1007245
_chemical_name_systematic          'Ammonium cobalt catena-phosphate'
_chemical_formula_structural       '(N H4) Co (P O3)3'
_chemical_formula_sum              'H4 Co N O9 P3'
_publ_section_title
;
Structure cristalline de la variete orthorhombique du metaphosphate de
cobalt-ammonium: Co N H4 (P O3)3
;
loop_
_publ_author_name
  'Tranqui, D'
  'Grenier, J C'
  'Durif, A'
  'Guitel, J C'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    90
_journal_year                      1967
_journal_page_first                252
_journal_page_last                 256
_cell_length_a                     5.142
_cell_length_b                     11.93
_cell_length_c                     12.95
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       794.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b c m'
_symmetry_Int_Tables_number        57
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  'x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  Co2+   2.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
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
  N1    N3-    4 d 0. 0.26 0.25 1.  4 d
  Co1   Co2+   4 a 0. 0. 0. 1.  0 d
  P1    P5+    4 c 0.73 0.25 0. 1.  0 d
  P2    P5+    8 e 0.456 0.421 0.134 1.  0 d
  O1    O2-    8 e 0.448 0.304 0.085 1.  0 d
  O2    O2-    8 e 0.901 0.147 0.049 1.  0 d
  O3    O2-    8 e 0.172 0.447 0.135 1.  0 d
  O4    O2-    8 e 0.662 0.501 0.094 1.  0 d
  O5    O2-    4 d 0.574 0.399 0.25 1.  0 d
  H1    H1+    8 e -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.13