#------------------------------------------------------------------------------
#$Date: 2026-05-30 09:28:01 +0200 (Sat 30 de May de 2026) $
#$Revision: 306144 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/73/1577324.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_1577324
loop_
_publ_author_name
'Pawar, Pratap K'
'Namade, Lahu D.'
'Yadav, Harshada C.'
'Yadav, Amruta A.'
'Bodake, Tejas R.'
'Pedanekar, Rupesh S.'
'Rajpure, Keshav Y.'
_publ_section_title
;
 Hydrothermally synthesized hierarchically cobalt phosphate hydrate for
 water splitting and supercapacitor
;
_journal_name_full               'Journal of Solid State Chemistry)'
_journal_paper_doi               10.1016/j.jssc.2025.125751
_journal_volume                  354
_journal_year                    2026
_chemical_formula_sum            'Co3 H16 O16 P2'
_chemical_name_common            Monoclinic
_chemical_name_systematic        'Co3 (P O4)2 (H2 O)8'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.9319
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6798
_cell_length_b                   13.2874
_cell_length_c                   4.6758
_cell_volume                     581.091
_exptl_crystal_density_diffrn    2.782
_journal_article_reference       125751
_cod_data_source_file            CoP_6.cif
_cod_data_source_block           H16Co3O16P2
_cod_original_cell_volume        603.2756
_cod_original_formula_sum        'H16 Co3 O16 P2'
_cod_database_code               1577324
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.1573 0 0.3711 1 0.0
O4 O-2 0.4009 0.38454 0.1956 1 0.0
H1 H+1 0.38 0.411 0.319 1 0.0
O5 O-2 0.1029 0.276 0.282 1 0.0
P1 P+5 0.31424 0 0.3811 1 0.0
Co2 Co+2 0 0.38993 0 1 0.0
O2 O-2 0.3935 0 0.7092 1 0.0
Co1 Co+2 0 0 0 1 0.0
H2 H+1 0.348 0.372 0.123 1 0.0
H4 H+1 0.058 0.221 0.286 1 0.0
H3 H+1 0.116 0.299 0.382 1 0.0
O3 O-2 0.3444 0.09648 0.2282 1 0.0
