#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2200381.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_2200381 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2001 _journal_volume 57 _journal_page_first i55 _journal_page_last i56 _publ_section_title ; The new ternary compound Ce~2~Rh~15~Si~7~ ; loop_ _publ_author_name 'Tursina, Anna I.' 'Gribanov, Alexandr V.' 'Seropegin, Yuri D.' _chemical_formula_moiety 'Ce2 Rh15 Si7' _chemical_formula_sum 'Ce2 Rh15 Si7' _chemical_formula_iupac 'Ce2 Rh15 Si7' _chemical_formula_weight 2020.52 _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'P m -3 m' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, -z' '-x, -y, z' '-x, y, -z' '-y, x, z' 'y, x, -z' 'y, -x, z' '-y, -x, -z' 'y, z, x' '-y, -z, x' 'y, -z, -x' '-y, z, -x' '-z, y, x' '-z, -y, -x' 'z, -y, x' 'z, y, -x' 'z, x, y' '-z, x, -y' '-z, -x, y' 'z, -x, -y' '-x, -z, -y' '-x, z, y' 'x, -z, y' 'x, z, -y' '-x, -y, -z' '-x, y, z' 'x, y, -z' 'x, -y, z' 'y, -x, -z' '-y, -x, z' '-y, x, -z' 'y, x, z' '-y, -z, -x' 'y, z, -x' '-y, z, x' 'y, -z, x' 'z, -y, -x' 'z, y, x' '-z, y, -x' '-z, -y, x' '-z, -x, -y' 'z, -x, y' 'z, x, -y' '-z, x, y' 'x, z, y' 'x, -z, -y' '-x, z, -y' '-x, -z, y' _cell_length_a 8.8180(10) _cell_length_b 8.8180(10) _cell_length_c 8.8180(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 685.66(13) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 9.787 _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 Ce1 .5000 .5000 .5000 .0135(8) Uani d S 1 . . Ce Ce2 .5000 .0000 .0000 .0154(6) Uani d S 1 . . Ce Rh3 .2241(3) .0000 .0000 .0137(5) Uani d S 1 . . Rh Rh4 .26211(14) .26211(14) .5000 .0127(4) Uani d S 1 . . Rh Rh5 .32339(14) .32339(14) .0000 .0133(4) Uani d S 1 . . Rh Si6 .1345(11) .5000 .5000 .0147(16) Uani d S 1 . . Si Si7 .2130(6) .2130(6) .2130(6) .0147(13) Uani d S 1 . . Si 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 Ce1 .0135(8) .0135(8) .0135(8) .000 .000 .000 Ce2 .0144(11) .0159(8) .0159(8) .000 .000 .000 Rh3 .0119(10) .0146(6) .0146(6) .000 .000 .000 Rh4 .0129(5) .0129(5) .0123(7) .0014(5) .000 .000 Rh5 .0140(5) .0140(5) .0119(7) -.0022(6) .000 .000 Si6 .010(3) .017(2) .017(2) .000 .000 .000 Si7 .0147(13) .0147(13) .0147(13) .0019(16) .0019(16) .0019(16) 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 Ce1 Rh4 37_566 2.9666(18) ? Ce1 Rh4 . 2.9666(18) ? Ce1 Rh4 13_655 2.9666(18) ? Ce1 Rh4 25_666 2.9666(18) ? Ce1 Rh4 33_666 2.9666(18) ? Ce1 Rh4 9 2.9666(18) ? Ce1 Rh4 39_656 2.9666(18) ? Ce1 Rh4 26_655 2.9666(18) ? Ce1 Rh4 10_665 2.9666(18) ? Ce1 Rh4 15_565 2.9666(18) ? Ce1 Rh4 34_556 2.9666(18) ? Ce1 Rh4 2_566 2.9666(18) ? Ce2 Rh3 25_655 2.433(3) ? Ce2 Rh3 . 2.433(3) ? Ce2 Rh5 10_655 3.2492(6) ? Ce2 Rh5 26_655 3.2492(6) ? Ce2 Rh5 34 3.2492(6) ? Ce2 Rh5 2 3.2492(6) ? Ce2 Rh5 . 3.2492(6) ? Ce2 Rh5 33_655 3.2492(6) ? Ce2 Rh5 25_655 3.2492(6) ? Ce2 Rh5 9 3.2492(6) ? Ce2 Rh4 37 3.2687(18) ? Ce2 Rh4 13_655 3.2687(18) ? Rh3 Si7 2 2.658(7) ? Rh3 Si7 . 2.658(7) ? Rh3 Si7 28 2.658(7) ? Rh3 Si7 27 2.658(7) ? Rh3 Rh3 29 2.794(4) ? Rh3 Rh3 33 2.794(4) ? Rh3 Rh3 5 2.794(4) ? Rh3 Rh3 9 2.794(4) ? Rh3 Rh5 9 2.9831(18) ? Rh3 Rh5 . 2.9831(18) ? Rh3 Rh5 2 2.9831(18) ? Rh4 Si6 5_655 2.380(4) ? Rh4 Si6 . 2.380(4) ? Rh4 Si7 . 2.604(7) ? Rh4 Si7 27_556 2.604(7) ? Rh4 Rh5 9 2.8389(9) ? Rh4 Rh5 13 2.8389(9) ? Rh4 Rh5 34_556 2.8389(9) ? Rh4 Rh5 39_556 2.8389(9) ? Rh4 Rh4 39_656 2.9666(18) ? Rh4 Rh4 34_556 2.9666(18) ? Rh4 Rh4 13_655 2.9666(18) ? Rh5 Si7 27 2.3287(10) ? Rh5 Si7 . 2.3287(10) ? Rh5 Si6 9 2.501(5) ? Rh5 Si6 33_665 2.501(5) ? Rh5 Rh4 13_655 2.8389(9) ? Rh5 Rh4 9 2.8389(9) ? Rh5 Rh4 39_655 2.8389(9) ? Rh5 Rh4 34 2.8389(9) ? Rh5 Rh3 5 2.9831(18) ? Rh5 Rh5 2_565 3.115(2) ? Rh5 Rh5 26_655 3.115(2) ? Si6 Si6 25_566 2.372(19) ? Si6 Rh4 34_556 2.380(4) ? Si6 Rh4 2_566 2.380(4) ? Si6 Rh4 9 2.380(4) ? Si6 Rh5 13 2.501(5) ? Si6 Rh5 37_566 2.501(5) ? Si6 Rh5 39_556 2.501(5) ? Si6 Rh5 15_565 2.501(5) ? Si7 Rh5 9 2.3287(10) ? Si7 Rh5 13 2.3287(10) ? Si7 Rh4 13_655 2.604(7) ? Si7 Rh4 9 2.604(7) ? Si7 Rh3 9 2.658(7) ? Si7 Rh3 5 2.658(7) ? _cod_database_code 2200381