data_2011855 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 337 _journal_page_last 338 _publ_section_title ; Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~ ; loop_ _publ_author_name 'Smith, Mark D.' 'zur Loye, Hans-Conrad' _chemical_formula_moiety 'Sr3 Zn Pt O6' _chemical_formula_sum 'Sr3 Zn Pt O6' _chemical_formula_weight 619.32 _symmetry_cell_setting Trigonal _symmetry_space_group_name_H-M 'R -3 c' _symmetry_space_group_name_Hall '-R 3 2"c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z+1/2' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+5/6' 'x-y+2/3, -y+1/3, -z+5/6' '-x+2/3, -x+y+1/3, -z+5/6' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+7/6' 'x-y+1/3, -y+2/3, -z+7/6' '-x+1/3, -x+y+2/3, -z+7/6' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z-1/2' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-y+2/3, -x+1/3, z-1/6' '-x+y+2/3, y+1/3, z-1/6' 'x+2/3, x-y+1/3, z-1/6' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-y+1/3, -x+2/3, z+1/6' '-x+y+1/3, y+2/3, z+1/6' 'x+1/3, x-y+2/3, z+1/6' _cell_length_a 9.6267(7) _cell_length_b 9.6267(7) _cell_length_c 11.2292(11) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 901.23(13) _cell_formula_units_Z 6 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 6.847 _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 Sr .36425(7) 0 1/4 .00588(16) Uani d S 1 . . Sr Zn 0 0 1/4 .0087(3) Uani d S 1 . . Zn Pt 0 0 0 .00336(12) Uani d S 1 . . Pt O -.0203(5) .1528(5) 0.1135(3) .0092(7) Uani d . 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 Sr .0053(2) .0055(3) .0069(3) .00276(15) -.00037(11) -.0007(2) Zn .0106(4) .0106(4) .0051(6) .0053(2) 0 0 Pt .00297(15) .00297(15) .00413(19) .00149(7) 0 0 O .0099(19) .0083(18) .0103(17) .0053(16) -.0005(14) -.0030(14) 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 Sr O 3 2.476(4) y Sr O 4 2.476(4) ? Sr O 34_545 2.645(4) ? Sr O 27 2.645(4) y Sr O 8 2.668(4) y Sr O 18_544 2.668(4) ? Sr O 25 2.718(4) y Sr O 35_545 2.718(4) ? Sr Pt 7 3.2103(4) ? Sr Pt 16_544 3.2104(4) ? Sr Zn . 3.5066(8) ? Sr Sr 32 3.5962(3) ? Zn O 2 2.200(4) ? Zn O 6 2.200(4) ? Zn O 4 2.200(4) ? Zn O 5 2.200(4) ? Zn O 3 2.200(4) ? Zn O . 2.200(4) y Zn Pt . 2.8073(3) y Zn Pt 4 2.8073(3) ? Zn Sr 3 3.5066(8) ? Zn Sr 2 3.5066(8) ? Zn Sr 27_445 3.5962(3) ? Pt O 19 2.029(4) ? Pt O 21 2.029(4) ? Pt O 3 2.029(4) ? Pt O . 2.029(4) y Pt O 20 2.029(4) ? Pt O 2 2.029(4) ? Pt Zn 19 2.8073(3) ? Pt Sr 15_554 3.2103(4) ? Pt Sr 27_445 3.2103(4) ? Pt Sr 25 3.2103(4) ? Pt Sr 13_444 3.2103(4) ? O Sr 2 2.476(4) ? O Sr 26_455 2.645(4) ? O Sr 15_554 2.668(4) ? O Sr 25 2.718(4) ?