#------------------------------------------------------------------------------ #$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2010608.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_2010608 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first 136 _journal_page_last 137 _publ_section_title ; Rubidium stannate(IV) Rb~4~SnO~4~ ; loop_ _publ_author_name 'Hoch, Constantin' 'R\"ohr, Caroline' _chemical_formula_sum 'O4 Rb4 Sn' _[local]_cod_chemical_formula_sum_orig 'Rb4 Sn O4' _chemical_formula_weight 524.57 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.773(2) _cell_length_b 6.776(3) _cell_length_c 10.122(3) _cell_angle_alpha 71.72(3) _cell_angle_beta 79.48(2) _cell_angle_gamma 66.64(2) _cell_volume 404.0(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 4.312 _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 Sn .27370(12) .15660(13) .24574(8) .0127(3) Uani d . 1 . . Sn O1 .0399(13) .3022(14) .3713(10) .0212(19) Uani d . 1 . . O O2 .4593(13) .3337(15) .1882(9) .0206(19) Uani d . 1 . . O O3 .4475(15) -.1437(14) .3495(10) .025(2) Uani d . 1 . . O O4 .1293(18) .158(2) .0971(11) .038(3) Uani d . 1 . . O Rb1 -.2378(2) .2392(2) -.03146(14) .0250(4) Uani d . 1 . . Rb Rb2 .27554(19) .5094(2) .44200(13) .0195(4) Uani d . 1 . . Rb Rb3 -.2156(2) .0329(2) .37954(14) .0233(4) Uani d . 1 . . Rb Rb4 -.2620(2) -.4067(2) .16385(14) .0260(4) Uani d . 1 . . Rb 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 Sn .0129(5) .0105(5) .0159(5) -.0067(3) -.0009(3) -.0018(3) O1 .014(4) .017(4) .032(5) -.002(4) -.003(4) -.009(4) O2 .015(4) .019(4) .028(5) -.010(4) .006(4) -.005(4) O3 .029(5) .011(4) .032(5) -.010(4) .004(4) -.004(4) O4 .044(6) .052(7) .030(6) -.025(6) -.006(5) -.014(5) Rb1 .0229(7) .0199(7) .0283(8) -.0026(5) -.0054(6) -.0057(5) Rb2 .0197(6) .0196(7) .0243(7) -.0117(5) .0020(5) -.0089(5) Rb3 .0234(7) .0215(7) .0261(7) -.0124(5) -.0076(5) .0013(5) Rb4 .0263(7) .0258(7) .0279(8) -.0133(6) -.0043(6) -.0033(5) 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 Sn O4 . 1.934(10) y Sn O3 . 1.959(9) y Sn O2 . 1.962(8) y Sn O1 . 1.977(9) y Rb1 O4 2 2.758(11) y Rb1 O2 2_565 2.773(9) y Rb1 O2 1_455 2.783(8) y Rb1 O4 . 2.797(11) y Rb2 O1 2_566 2.764(9) y Rb2 O1 . 2.802(8) y Rb2 O3 1_565 2.855(9) y Rb2 O3 2_656 2.932(10) y Rb2 O2 . 3.024(9) y Rb3 O2 1_455 2.877(9) y Rb3 O1 2_556 2.880(9) y Rb3 O1 . 2.947(8) y Rb3 O3 2_556 3.056(9) y Rb3 O3 1_455 3.063(9) y Rb4 O4 2 2.858(11) y Rb4 O1 1_545 2.873(9) y Rb4 O3 1_455 2.924(9) y Rb4 O2 1_445 2.985(9) y Rb4 O4 1_545 3.252(12) y _cod_database_code 2010608