#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/12/2201250.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2201250
loop_
_publ_author_name
'Guesmi, Abderrahmen'
'Driss, Ahmed'
_publ_section_title
;
Sodium cobalt(II) hydrogendiphosphate, NaCoHP₂O₇
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i108
_journal_page_last               i110
_journal_paper_doi               10.1107/S1600536802019116
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Na Co H P2 O7'
_chemical_formula_structural     'Na Co H P2 O7'
_chemical_formula_sum            'Co H Na O7 P2'
_chemical_formula_weight         256.87
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.600(10)
_cell_angle_beta                 87.935(8)
_cell_angle_gamma                96.140(10)
_cell_formula_units_Z            2
_cell_length_a                   6.5629(7)
_cell_length_b                   6.6430(10)
_cell_length_c                   6.5309(6)
_cell_measurement_temperature    293(2)
_cell_volume                     261.35(5)
_database_code_amcsd             0010391
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.264
_cod_original_formula_sum        'H Co Na O7 P2'
_cod_database_code               2201250
_amcsd_formula_title             NaCoHP2O7
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_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
Co1 0.14557(4) 0.38935(4) 0.28318(4) 0.00892(13) Uani d . 1 . . Co
P1 0.12068(8) 0.86406(9) 0.16792(9) 0.00787(15) Uani d . 1 . . P
P2 0.64276(8) 0.28014(8) 0.25330(8) 0.00711(15) Uani d . 1 . . P
Na 0.6582(18) 0.7594(10) 0.302(3) 0.0242(18) Uani d P 0.65(5) . . Na
Na' 0.613(3) 0.7404(13) 0.221(5) 0.023(3) Uani d P 0.35(5) . . Na
O1 0.8274(2) 0.4464(2) 0.3630(2) 0.0099(3) Uani d . 1 . . O
O2 0.1139(2) 0.0960(3) 0.3312(3) 0.0124(3) Uani d . 1 . . O
O3 0.4643(2) 0.3913(3) 0.2215(3) 0.0130(3) Uani d . 1 . . O
O4 0.2102(3) 0.7202(3) 0.2764(3) 0.0128(3) Uani d D 1 . . O
O5 0.9229(2) 0.7475(3) 0.0489(2) 0.0116(3) Uani d . 1 . . O
O6 0.7117(2) 0.1209(3) 0.0136(2) 0.0111(3) Uani d . 1 . . O
O7 0.5890(2) 0.1272(3) 0.3791(2) 0.0111(3) Uani d . 1 . . O
H 0.262(6) 0.780(6) 0.397(3) 0.050 Uiso d D 1 . . H
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
Co1 O5 2_665 2.0495(15) y
Co1 O2 . 2.0782(16) y
Co1 O3 . 2.1156(16) y
Co1 O1 2_666 2.1474(15) y
Co1 O1 1_455 2.1713(15) y
Co1 O4 . 2.2104(16) y
P1 O2 1_565 1.5036(16) y
P1 O5 1_455 1.5112(16) y
P1 O4 . 1.5593(16) y
P1 O6 2_665 1.6121(16) y
P2 O3 . 1.5103(16) y
P2 O1 . 1.5394(15) y
P2 O7 . 1.5414(16) y
P2 O6 . 1.5978(15) y
Na Na' . 0.580(17) y
Na O5 . 2.341(4) y
Na O7 1_565 2.389(4) y
Na O3 . 2.503(7) y
Na O7 2_666 2.519(6) y
Na O1 . 2.622(10) y
Na O2 2_666 2.66(2) y
Na O4 . 2.929(13) y
Na' O5 . 2.295(6) y
Na' O7 1_565 2.393(7) y
Na' O3 . 2.418(6) y
Na' O4 . 2.649(14) y
Na' O3 2_665 2.73(3) y
Na' O7 2_666 2.75(2) y
Na' O1 . 2.95(2) y
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010391
