#------------------------------------------------------------------------------ #$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: svn://www.crystallography.net/cod/cif/2/2011948.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_2011948 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 501 _journal_page_last 502 _publ_section_title ; \b-Rubidium antimonide RbSb ; _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_cif_authors_sg_H-M 'P 21/c' loop_ _publ_author_name 'Hirschle, Christian' 'Emmerling, Franziska' 'R\"ohr, Caroline' _chemical_formula_moiety 'Rb4 Sb4' _chemical_formula_sum 'Rb4 Sb4' _chemical_formula_weight 828.88 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 7.3566(8) _cell_length_b 7.1341(9) _cell_length_c 13.7930(13) _cell_angle_alpha 90.00 _cell_angle_beta 114.28(2) _cell_angle_gamma 90.00 _cell_volume 659.86(13) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 4.172 _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 Sb1 .17113(12) .59690(12) .21589(6) .0250(2) Uani d . 1 . . Sb Sb2 .17081(13) .33027(12) .37083(6) .0247(2) Uani d . 1 . . Sb Rb1 .28587(19) .09726(19) .16633(9) .0305(3) Uani d . 1 . . Rb Rb2 .7414(2) .3301(2) .02977(9) .0362(3) 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 Sb1 .0195(4) .0274(4) .0289(4) -.0013(4) .0107(3) -.0012(3) Sb2 .0223(4) .0261(4) .0204(4) .0041(4) .0033(3) -.0014(3) Rb1 .0248(6) .0329(7) .0336(6) -.0049(6) .0117(5) -.0059(5) Rb2 .0392(8) .0333(7) .0288(6) -.0054(6) .0066(5) .0019(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 Sb1 Sb2 2 2.8383(13) y Sb1 Sb2 . 2.8617(12) y Sb1 Rb1 2_655 3.6414(17) ? Sb1 Rb2 1_455 3.6788(17) ? Sb1 Rb2 2_655 3.6920(15) ? Sb1 Rb2 3_665 3.7365(16) ? Sb1 Rb1 . 3.7894(17) ? Sb1 Rb1 1_565 3.7943(17) ? Sb1 Rb1 2 4.2933(17) ? Sb2 Sb1 2_545 2.8383(13) ? Sb2 Sb1 . 2.8617(12) ? Sb2 Rb1 . 3.6605(15) ? Sb2 Rb1 2 3.7096(16) ? Sb2 Rb2 2_655 3.7793(16) ? Sb2 Rb2 2_645 3.7817(17) ? Sb2 Rb1 4_566 3.8417(15) ? Sb2 Rb2 4_566 4.0207(18) ? Rb1 Sb1 2_645 3.6414(17) y Rb1 Sb2 . 3.6605(15) y Rb1 Sb2 2_545 3.7097(16) y Rb1 Sb1 . 3.7894(17) y Rb1 Sb1 1_545 3.7943(17) y Rb1 Sb2 4_565 3.8417(15) y Rb1 Rb2 1_455 4.018(2) ? Rb1 Rb2 3_655 4.026(2) ? Rb2 Sb1 1_655 3.6788(17) y Rb2 Sb1 2_645 3.6921(15) y Rb2 Sb1 3_665 3.7364(16) y Rb2 Sb2 2_645 3.7793(16) y Rb2 Sb2 2_655 3.7817(17) y Rb2 Sb2 4_565 4.0207(18) y Rb2 Rb1 3_655 4.026(2) ? Rb2 Rb2 3_665 4.095(3) ? Rb2 Rb1 2_655 4.6833(19) ? Rb2 Rb1 4_565 4.776(2) ?