#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2008257.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_2008257 _journal_name_full 'Acta Crystallographica' _journal_year 1999 _journal_volume C55 _journal_page_first 281 _journal_page_last 282 _publ_section_title ; Nitrate d'Argent et de C\'esium: AgCs(NO~3~)~2~ ; loop_ _publ_author_name 'Ben Amor, Fatma' 'Hellali, Dalila' 'Zamali, Hmida' _chemical_formula_moiety 'Ag Cs N2 O6' _chemical_formula_sum 'Ag Cs N2 O6' _chemical_formula_structural 'AgCs(NO3)2' _chemical_formula_iupac 'Ag Cs (N O3)2' _chemical_formula_weight 364.80 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 20.430(4) _cell_length_b 5.591(4) _cell_length_c 5.2880(6) _cell_angle_alpha 90.00 _cell_angle_beta 93.260(10) _cell_angle_gamma 90.00 _cell_volume 603.0(5) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 4.018 _diffrn_ambient_temperature 293(2) _refine_ls_R_factor_obs 0.043 _refine_ls_wR_factor_obs 0.128 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group _atom_site_type_symbol Ag 0.18055(4) 0 0.8113(2) 0.0416(3) Uani d S 1 . Ag Cs 0.09010(3) 1/2 0.26860(10) 0.0315(3) Uani d S 1 . Cs N1 0.0393(4) 0 0.7576(13) 0.0240(10) Uani d S 1 . N N2 0.2411(4) 0 1.3217(15) 0.0280(10) Uani d S 1 . N O1 -0.0219(4) 0 0.7449(13) 0.0320(10) Uani d S 1 . O O2 0.0715(3) -0.1929(11) 0.7686(9) 0.0390(10) Uani d . 1 . O O3 0.2642(4) 0 1.5329(14) 0.0340(10) Uani d S 1 . O O4 0.1805(4) 0 1.2764(16) 0.038(2) Uani d S 1 . O O5 0.2778(5) 0 1.1476(18) 0.054(2) Uani d S 1 . O 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 0.0328(5) 0.0586(6) 0.0333(5) 0 -0.0004(3) 0 Cs 0.0336(4) 0.0284(4) 0.0320(4) 0 -0.0039(2) 0 N1 0.026(3) 0.027(3) 0.019(3) 0 0.000(2) 0 N2 0.028(3) 0.024(3) 0.031(3) 0 -0.001(3) 0 O1 0.023(3) 0.049(4) 0.025(3) 0 0.004(2) 0 O2 0.046(3) 0.036(3) 0.034(2) 0.016(2) 0.000(2) -0.001(2) O3 0.033(3) 0.037(4) 0.033(3) 0 -0.007(3) 0 O4 0.024(3) 0.046(4) 0.042(4) 0 -0.010(3) 0 O5 0.059(6) 0.058(6) 0.045(5) 0 0.018(4) 0 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 O3 1_554 2.317(8) y Ag O4 . 2.460(8) y Ag O2 . 2.474(7) y Ag O2 6 2.474(7) y Ag O5 . 2.590(11) y Ag Cs 1_556 4.194(2) n Ag Cs 1_546 4.194(2) n Ag Cs 1_545 4.343(2) n Ag Cs . 4.343(2) n Cs O3 7_557 3.100(7) y Cs O1 5_566 3.123(4) y Cs O1 5_556 3.123(4) y Cs O2 1_564 3.157(5) y Cs O2 6_554 3.157(5) y Cs O2 1_565 3.194(5) y Cs O2 6 3.194(5) y Cs O4 1_564 3.349(4) y Cs O4 1_554 3.349(4) y Cs O5 7_556 3.578(9) y Cs O2 2_566 3.716(7) y Cs O2 5_556 3.716(7) y N1 O1 . 1.248(10) n N1 O2 6 1.262(7) n N1 O2 . 1.262(6) n N1 Cs 5_566 3.845(5) n N1 Cs 5_556 3.845(5) n N2 O3 . 1.187(10) n N2 O5 . 1.219(12) n N2 O4 . 1.249(11) n O1 Cs 5_566 3.123(4) n O1 Cs 5_556 3.123(4) n O2 Cs 1_546 3.157(5) n O2 Cs 1_545 3.194(5) n O2 Cs 5_556 3.716(7) n O3 Ag 1_556 2.318(8) y O3 Cs 7_557 3.100(7) n O4 Cs 1_556 3.349(4) n O4 Cs 1_546 3.349(4) n O5 Cs 7_556 3.578(9) n