#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/19/2201962.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_2201962
loop_
_publ_author_name
'Zid, Mohamed Faouzi'
'Driss, Ahmed'
'Jouini, Tahar'
_publ_section_title
;
K₂MoO₂P₂O₇
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i65
_journal_page_last               i67
_journal_paper_doi               10.1107/S1600536803007001
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'K2 Mo O2 P2 O7'
_chemical_formula_moiety         'K2 Mo1 O9 P2'
_chemical_formula_sum            'K2 Mo O9 P2'
_chemical_formula_weight         380.1
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7780(10)
_cell_length_b                   8.0216(9)
_cell_length_c                   15.5950(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1704.9(3)
_database_code_amcsd             0010407
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.962
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'K2 Mo1 O9 P2'
_cod_database_code               2201962
_amcsd_formula_title             K2MoO2P2O7
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Mo -0.11455(3) 0.64360(6) 0.36439(3) 0.01090(10) Uani d . 1 . . Mo
K1 0.14457(9) 0.1634(2) 0.23762(8) 0.0213(3) Uani d . 1 . . K
K2 0.14160(10) 0.9143(2) 0.47828(9) 0.0239(3) Uani d . 1 . . K
P1 0.12930(10) 0.5808(2) 0.34432(9) 0.0116(3) Uani d . 1 . . P
P2 0.03780(10) 0.3007(2) 0.42395(9) 0.0112(3) Uani d . 1 . . P
O1 0.2230(3) 0.6669(5) 0.3785(2) 0.0171(8) Uani d . 1 . . O
O2 0.0373(3) 0.6790(5) 0.3552(2) 0.0141(8) Uani d . 1 . . O
O3 0.0270(3) 0.1476(5) 0.3689(2) 0.0200(9) Uani d . 1 . . O
O4 -0.0534(3) 0.4096(5) 0.4174(2) 0.0158(8) Uani d . 1 . . O
O5 0.0724(3) 0.2488(5) 0.5193(2) 0.0149(8) Uani d . 1 . . O
O6 0.1279(3) 0.4102(5) 0.3988(2) 0.0172(9) Uani d . 1 . . O
O7 0.1239(3) 0.5159(5) 0.2495(2) 0.0178(9) Uani d . 1 . . O
O8 -0.2245(3) 0.5729(6) 0.3882(3) 0.0216(9) Uani d . 1 . . O
O9 -0.1462(3) 0.8279(5) 0.3135(2) 0.0196(9) Uani d . 1 . . O
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
Mo O9 . 1.705(4) y
Mo O8 . 1.708(4) y
Mo O5 5_566 2.016(4) y
Mo O7 2 2.037(4) y
Mo O2 . 2.137(4) y
Mo O4 . 2.170(4) y
Mo K1 3_455 3.6086(14) n
K1 O3 2 2.686(4) y
K1 O1 4_545 2.753(4) y
K1 O3 . 2.794(4) y
K1 O9 2_545 2.807(4) y
K1 O8 3_545 2.837(4) y
K1 O7 . 2.851(4) y
K1 O4 2 3.230(4) n
K1 O9 3_545 3.232(4) n
K1 O6 . 3.234(4) n
K1 O7 4_545 3.380(4) n
K1 P2 2 3.4663(19) n
K1 P1 4_545 3.5977(19) n
K2 O1 7_566 2.769(4) y
K2 O8 3 2.786(4) y
K2 O1 . 2.851(4) y
K2 O3 1_565 2.848(4) y
K2 O5 1_565 2.950(4) y
K2 O2 . 2.916(4) y
K2 O5 5_566 3.231(4) n
K2 O4 5_566 3.384(4) n
K2 P1 . 3.383(2) n
K2 P2 1_565 3.466(2) n
K2 P2 5_566 3.537(2) n
K2 P1 7_566 3.8797(19) n
P1 O1 . 1.491(4) y
P1 O2 . 1.523(4) y
P1 O7 . 1.559(4) y
P1 O6 . 1.613(4) y
P1 K1 4 3.5977(19) n
P1 K2 7_566 3.8797(19) n
P2 O3 . 1.493(4) y
P2 O4 . 1.521(4) y
P2 O5 . 1.550(4) y
P2 O6 . 1.616(4) y
P2 K1 2 3.4663(19) n
P2 K2 1_545 3.466(2) n
P2 K2 5_566 3.537(2) n
O1 K2 7_566 2.769(4) n
O1 K1 4 2.753(4) n
O3 K1 2 2.686(4) n
O3 K2 1_545 2.848(4) n
O4 K1 2 3.230(4) n
O4 K2 5_566 3.384(4) n
O5 Mo 5_566 2.016(4) n
O5 K2 1_545 2.950(4) n
O5 K2 5_566 3.231(4) n
O7 Mo 2 2.037(4) n
O7 K1 4 3.380(4) n
O8 K2 3_445 2.786(4) n
O8 K1 3_455 2.837(4) n
O9 K1 2_565 2.807(4) n
O9 K1 3_455 3.232(4) n
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010407
