#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/4/4000557.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_4000557 _journal_name_full 'Chemistry of Materials' _journal_year 2005 _chemical_formula_sum 'Co2 Ho2.5 Si7' _chemical_formula_weight 726.8 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_space_group_name_Hall '-P 2ycb' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,1/2-y,1/2+z _cell_length_a 12.3765(15) _cell_length_b 7.8142(9) _cell_length_c 7.7330(9) _cell_angle_alpha 90 _cell_angle_beta 98.867(2) _cell_angle_gamma 90 _cell_volume 738.94(15) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 6.5309(13) loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ho1 Ho 0.5 0 0 Uani 0.00427(19) 2 1 d . . . Ho2 Ho 0.86425(9) 0.25179(10) -0.15780(10) Uani 0.0040(3) 4 1 d . . . Ho3 Ho 0.13550(8) 0.24898(10) 0.16047(10) Uani 0.0034(3) 4 1 d . . . Co1 Co 0.4996(2) 0.3741(3) 0.1276(3) Uani 0.0087(6) 4 1 d . . . Co2 Co 0.74912(12) -0.0004(4) 0.0608(2) Uani 0.0043(4) 4 1 d . . . Si1 Si 0.5000(4) -0.3362(5) 0.1620(6) Uani 0.0073(13) 4 1 d . . . Si6 Si 0.9413(3) 0.4988(8) 0.1124(4) Uani 0.0064(8) 4 1 d . . . Si3 Si 0.6783(3) 0.0061(8) -0.2328(4) Uani 0.0042(8) 4 1 d . . . Si5 Si 0.6789(3) -0.0050(8) 0.3198(4) Uani 0.0056(9) 4 1 d . . . Si4 Si 0.6777(5) 0.2751(6) 0.0500(6) Uani 0.0051(17) 4 1 d . . . Si2 Si 0.6771(5) -0.2746(6) 0.0388(6) Uani 0.0043(17) 4 1 d . . . Si7 Si 0.9400(2) 0.0004(8) 0.1096(4) Uani 0.0039(8) 4 1 d . . .