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
 Sample: T = 280 K
;
_database_code_amcsd 0012829
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Mn2 O4'
_cell_length_a 3.1492
_cell_length_b 9.98
_cell_length_c 9.66
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 303.604
_exptl_crystal_density_diffrn      4.681
_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   0.68500   0.15000   0.75000   0.01393
Mn   0.20800   0.11300   0.06700   0.01178
O1   0.59900   0.25000   0.00000   0.01051
O2   0.19000   0.18600   0.25000   0.01469
O3   0.79500   0.97370   0.10850   0.00899