data_2012415 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first i16 _journal_page_last i17 _publ_section_title ; AgCo~3~PO~4~(HPO~4~)~2~ ; loop_ _publ_author_name 'Guesmi, Abderrahmen' 'Driss, Ahmed' _chemical_formula_sum 'Ag Co3 H2 O12 P3' _chemical_formula_structural 'Ag Co3 P O4 (H P O4)2' _chemical_formula_iupac 'Ag Co3 P O4 (H P O4)2' _chemical_formula_weight 571.59 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' loop_ _symmetry_equiv_pos_as_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' _cell_length_a 12.035(2) _cell_length_b 12.235(2) _cell_length_c 6.541(2) _cell_angle_alpha 90 _cell_angle_beta 114.14(2) _cell_angle_gamma 90 _cell_volume 878.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 4.320 _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 Ag .0000 .47148(4) .2500 .02258(19) Uani d S 1 . . Ag Co1 .29015(4) .16196(4) .37801(8) .00841(18) Uani d . 1 . . Co Co2 .5000 .27873(5) .2500 .0094(2) Uani d S 1 . . Co P1 .22255(8) .38696(7) .11416(14) .0072(2) Uani d . 1 . . P P2 .0000 .18372(10) .2500 .0073(3) Uani d S 1 . . P O1 .1068(2) .1078(2) .2663(4) .0108(5) Uani d . 1 . . O O2 .0350(2) .2557(2) .4620(4) .0092(5) Uani d . 1 . . O O3 .3443(2) .1719(2) .1121(4) .0093(5) Uani d . 1 . . O O4 .2169(2) .31838(19) .3066(4) .0090(5) Uani d . 1 . . O O5 .1628(2) .4994(2) .1069(4) .0111(5) Uani d . 1 . . O O6 .3605(2) .4057(2) .1588(4) .0105(5) Uani d D 1 . . O H .384(6) .467(2) .193(12) .050 Uiso d 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 Ag .0098(2) .0393(3) .0152(3) .000 .00155(18) .000 Co1 .0084(3) .0060(3) .0109(3) .00012(16) .0040(2) .00024(16) Co2 .0086(3) .0086(3) .0109(3) .000 .0040(3) .000 P1 .0076(4) .0046(4) .0088(4) -.0001(3) .0027(3) -.0003(3) P2 .0057(5) .0058(5) .0086(6) .000 .0011(4) .000 O1 .0081(11) .0069(11) .0171(13) .0008(9) .0048(10) -.0009(9) O2 .0072(11) .0098(11) .0092(11) -.0010(9) .0020(9) -.0010(9) O3 .0092(11) .0093(11) .0083(11) -.0014(9) .0025(9) -.0006(8) O4 .0100(11) .0076(11) .0097(11) .0002(9) .0045(9) .0006(9) O5 .0100(11) .0057(10) .0168(13) .0012(9) .0045(10) .0005(9) O6 .0078(11) .0067(11) .0160(12) -.0015(9) .0039(9) -.0008(9) 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 Ag O5 6_566 2.382(3) y Ag O5 5_565 2.382(3) y Ag O5 . 2.516(3) y Ag O5 2 2.516(3) y Co1 O5 4_545 2.059(3) y Co1 O4 . 2.079(2) y Co1 O3 . 2.096(3) y Co1 O4 7_556 2.113(2) y Co1 O1 . 2.126(2) y Co1 O2 7_556 2.176(2) y Co2 O2 7_556 2.134(2) y Co2 O2 8 2.134(2) y Co2 O3 . 2.156(2) y Co2 O3 2_655 2.156(2) y Co2 O6 2_655 2.184(3) y Co2 O6 . 2.184(3) y P1 O4 . 1.537(2) y P1 O3 7 1.543(3) y P1 O5 . 1.544(3) y P1 O6 . 1.581(3) y P2 O2 . 1.549(3) y P2 O2 2 1.549(3) y P2 O1 2 1.554(2) y P2 O1 . 1.554(2) y