data_global _amcsd_formula_title 'Ca2 Nd O6 Ru' loop_ _publ_author_name 'Battle P' 'Jones C' 'Studer F' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 90 _journal_year 1991 _journal_page_first 302 _journal_page_last 312 _publ_section_title ; The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and Sr2ErRuO6 _cod_database_code 1001474 ; _database_code_amcsd 0013700 _chemical_formula_sum 'Ca2 Nd Ru O6' _cell_length_a 5.5564 _cell_length_b 5.8296 _cell_length_c 8.0085 _cell_angle_alpha 90 _cell_angle_beta 90.07 _cell_angle_gamma 90 _cell_volume 259.408 _exptl_crystal_density_diffrn 5.396 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.51450 0.55900 0.25450 0.50000 Nd1 0.51450 0.55900 0.25450 0.50000 Ca2 0.00000 0.50000 0.00000 1.00000 Ru1 0.50000 0.00000 0.00000 1.00000 O1 0.21310 0.17620 -0.05140 1.00000 O2 0.32800 0.71980 -0.06640 1.00000 O3 0.38820 -0.04940 0.22910 1.00000