data_global _chemical_name_mineral 'Marokite' loop_ _publ_author_name 'Ling C D' 'Neumeier J J' 'Argyriou D N' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 160 _journal_year 2001 _journal_page_first 167 _journal_page_last 173 _publ_section_title ; Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 20 K ; _database_code_amcsd 0014006 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Mn2 O4' _cell_length_a 3.14685 _cell_length_b 9.95280 _cell_length_c 9.67166 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 302.916 _exptl_crystal_density_diffrn 4.691 _symmetry_space_group_name_H-M 'P b c m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,y,1/2-z' '-x,-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_U_iso_or_equiv Ca 0.68540 0.35197 0.25000 0.00760 Mn 0.20520 0.11245 0.06841 0.00100 O1 0.59690 0.25000 0.00000 0.00440 O2 0.19440 0.18431 0.25000 0.00360 O3 0.20010 0.47309 0.10835 0.00310