data_global _amcsd_formula_title 'Co0.2 Cr1.8 D3.615 Zr' loop_ _publ_author_name 'Soubeyroux J' 'Bououdina M' 'Fruchart D' 'Pontonnier L' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 219 _journal_year 1995 _journal_page_first 48 _journal_page_last 54 _publ_section_title ; Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides _cod_database_code 1008682 ; _database_code_amcsd 0016568 _chemical_formula_sum 'Zr (Cr1.8 Co.2) D3.615' _cell_length_a 5.370 _cell_length_b 5.370 _cell_length_c 8.789 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 219.492 _exptl_crystal_density_diffrn 6.170 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 0.33333 0.66667 0.43400 1.00000 Cr1 0.00000 0.00000 0.00000 0.90000 Co1 0.00000 0.00000 0.00000 0.10000 Cr2 0.83800 0.67600 0.25000 0.90000 Co2 0.83800 0.67600 0.25000 0.10000 D1 0.04260 0.32370 0.55710 0.28500 D2 0.45410 0.90820 0.63950 0.33000 D3 0.46100 0.92200 0.25000 0.47000 D4 0.20200 0.40400 0.25000 0.14000