#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/17/2201761.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_2201761
loop_
_publ_author_name
'Brahim, Ayed'
'Amor, Haddad'
_publ_section_title
;
Ag~1.49~MnII~1.49~MnIII~1.51~(AsO₄)₃
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i77
_journal_page_last               i79
_journal_paper_doi               10.1107/S1600536803005816
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Ag1.49 Mn3 (As O4)3'
_chemical_formula_structural     'Ag1.49 As3 Mn3 O12'
_chemical_formula_sum            'Ag1.49 As3 Mn3 O12'
_chemical_formula_weight         742.29
_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                 113.690(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.262(2)
_cell_length_b                   12.934(3)
_cell_length_c                   6.7070(10)
_cell_measurement_temperature    293(2)
_cell_volume                     974.1(3)
_database_code_amcsd             0010409
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.062
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201761
_amcsd_formula_title             Ag1.49Mn3(AsO4)3
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
As1 0.26356(10) 0.38996(9) 0.37013(17) 0.0145(4) Uani d . 1 . . As
As2 0.5000 0.21390(12) 0.2500 0.0144(4) Uani d S 1 . . As
Mn1 0.5000 0.23492(19) -0.2500 0.0160(6) Uani d S 1 . . Mn
Mn2 0.22059(19) 0.15521(17) 0.1344(3) 0.0271(5) Uani d . 1 . . Mn
Ag1 0.5000 0.51173(14) 0.7500 0.0295(6) Uani d SP 0.870(7) . . Ag
Ag2 0.5000 0.0000 0.0000 0.0299(9) Uani d SP 0.620(7) . . Ag
O1 0.1175(8) 0.4045(7) 0.3085(17) 0.031(2) Uani d . 1 . . O
O2 0.4559(7) 0.2882(6) 0.0243(12) 0.0191(17) Uani d . 1 . . O
O3 0.3344(8) 0.5053(7) 0.3906(15) 0.026(2) Uani d . 1 . . O
O4 0.3351(7) 0.3302(7) 0.6127(12) 0.0206(18) Uani d . 1 . . O
O5 0.2788(8) 0.3175(8) 0.1736(15) 0.028(2) Uani d . 1 . . O
O6 0.3979(10) 0.1304(8) 0.2629(16) 0.039(3) 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
As1 O1 . 1.680(9) y
As1 O5 . 1.688(9) y
As1 O4 . 1.693(8) y
As1 O3 . 1.703(9) y
As2 O6 . 1.682(10) y
As2 O6 2_655 1.682(10) n
As2 O2 2_655 1.688(7) y
As2 O2 . 1.688(7) n
Mn1 O2 2_654 2.226(9) y
Mn1 O2 . 2.226(9) n
Mn1 O4 2_655 2.227(8) y
Mn1 O4 1_554 2.227(8) n
Mn1 O1 7 2.242(9) y
Mn1 O1 8 2.242(9) n
Mn2 O6 . 2.016(12) y
Mn2 O3 4_545 2.038(9) y
Mn2 O4 7_556 2.076(8) y
Mn2 O5 7 2.098(9) y
Mn2 O2 7 2.121(9) y
Mn2 O5 . 2.198(10) y
Ag1 O3 2_656 2.451(9) y
Ag1 O3 . 2.451(9) n
Ag1 O3 5_666 2.569(9) y
Ag1 O3 6_566 2.569(9) n
Ag2 O6 2_655 2.311(10) y
Ag2 O6 6 2.311(10) n
Ag2 O1 3_545 2.342(9) y
Ag2 O1 7 2.342(9) n
Ag2 O1 8 2.595(10) y
Ag2 O1 4_545 2.595(10) n
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010409
