data_2008122
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  151
_journal_page_last  153
_publ_section_title
;
Layer structure of NH~4~[Co(PO~4~)H~2~O]
;
loop_
_publ_author_name
  'Yakubovich, Olga V.'
  'Karimova, Oksana V.'
  'Dimitrova, Olga V.'
  'Massa, Werner'
_chemical_formula_moiety  '(N H4 )  Co P O4 .H2 O'
_chemical_formula_sum  'H6 Co N O5 P'
_chemical_formula_structural  'NH4[CoPO4(H2O)]'
_chemical_formula_analytical  'NH4 Co PO4 H2O'
_chemical_formula_weight  189.96
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P m n 21'
_symmetry_space_group_name_Hall  'P 2ac -2'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  'x+1/2, -y, z+1/2'
  '-x, y, z'
_cell_length_a  5.6210(10)
_cell_length_b  8.7660(10)
_cell_length_c  4.7970(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  236.37(8)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.669
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Co 1.0000 1.02055(4) 0.5000 0.00870(11) Uani d S 1 . . Co
  P 1.0000 0.80662(7) 0.93261(15) 0.00699(15) Uani d S 1 . . P
  N 1.0000 0.4725(3) 0.3703(6) 0.0170(5) Uani d SD 1 . . N
  H1 1.0000 0.535(5) 0.506(7) 0.041(6) Uiso d SD 1 . . H
  H2 1.120(3) 0.413(3) 0.378(6) 0.041(6) Uiso d D 1 . . H
  H3 1.0000 0.536(4) 0.237(7) 0.041(6) Uiso d SD 1 . . H
  O2 0.7820(2) 0.88417(16) 0.7906(3) 0.0120(3) Uani d . 1 . . O
  O1 1.0000 0.8316(2) 1.2461(4) 0.0117(4) Uani d S 1 . . O
  O3 1.0000 0.6351(2) 0.8716(4) 0.0135(4) Uani d S 1 . . O
  O4 1.0000 1.2093(3) 0.7978(6) 0.0160(4) Uani d S 1 . . O
  H4 1.103(5) 1.195(4) 0.892(8) 0.043(10) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Co 0.00788(15) 0.01065(16) 0.00756(18) 0.000 0.000 0.00076(19)
  P 0.0072(3) 0.0077(3) 0.0061(4) 0.000 0.000 0.0001(2)
  N 0.0204(13) 0.0169(13) 0.0137(13) 0.000 0.000 0.0035(9)
  O2 0.0106(6) 0.0161(7) 0.0094(7) 0.0042(5) 0.0012(5) 0.0009(4)
  O1 0.0154(10) 0.0132(9) 0.0066(11) 0.000 0.000 -0.0017(7)
  O3 0.0210(10) 0.0075(9) 0.0120(10) 0.000 0.000 -0.0005(7)
  O4 0.0113(10) 0.0198(11) 0.0169(12) 0.000 0.000 0.0001(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Co O2 2_674 2.0542(14) yes
  Co O2 3_574 2.0542(14) yes
  Co O1 1_554 2.056(2) yes
  Co O4 . 2.186(2) yes
  Co O2 . 2.2077(14) yes
  Co O2 4_755 2.2077(14) yes
  Co P . 2.7971(9) no
  P O1 . 1.520(2) yes
  P O3 . 1.532(2) yes
  P O2 . 1.5581(14) yes
  P O2 4_75 1.5581(14) yes
  N H1 . 0.8500(11) no
  N H2 . 0.8500(11) no
  N H3 . 0.8500(11) no
  O2 Co 2_675 2.0542(14) no
  O1 Co 1_556 2.056(2) no
  O4 H4 . 0.74(3) no