data_global _chemical_name_mineral 'Marokite' loop_ _publ_author_name 'Zouari S' 'Ranno L' 'Cheikh-Rouhou A' 'Isnard O' 'Pernet M' 'Wolfers P' 'Strobel P' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 353 _journal_year 2003 _journal_page_first 5 _journal_page_last 11 _publ_section_title ; New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K ; _database_code_amcsd 0012830 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Mn2 O4' _cell_length_a 6.2545 _cell_length_b 9.8995 _cell_length_c 9.627 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 596.069 _exptl_crystal_density_diffrn 4.768 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.41600 0.16000 0.75000 Mn1 0.15000 0.11500 0.06700 Mn2 0.65000 0.11500 0.06700 O1 0.28300 0.25000 0.00000 O2 0.14900 0.18800 0.25000 O3 0.38100 0.97000 0.11000 O4 0.88100 0.97000 0.11000