data_global _amcsd_formula_title 'D3.02 Mn1.8 Ti1.2' loop_ _publ_author_name 'Fruchart D' 'Soubeyroux J' 'Hempelmann R' _journal_name_full 'Journal of the Less-Common Metals' _journal_volume 99 _journal_year 1984 _journal_page_first 307 _journal_page_last 319 _publ_section_title ; Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and magnetic aspects _cod_database_code 1008274 ; _database_code_amcsd 0016196 _chemical_formula_sum 'Ti2.4 Mn3.6 D6.18' _cell_length_a 5.254 _cell_length_b 5.254 _cell_length_c 8.572 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 204.924 _exptl_crystal_density_diffrn 5.269 _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 Ti1 0.33333 0.66667 0.43800 1.00000 Ti2 0.00000 0.00000 0.00000 0.40000 Mn1 0.00000 0.00000 0.00000 0.60000 Mn2 0.84600 0.69200 0.25000 1.00000 D1 0.05300 0.30700 0.54300 0.17900 D2 0.47000 0.94000 0.60200 0.45800 D3 0.45100 0.90200 0.25000 0.22400 D4 0.21400 0.42800 0.25000 0.20400