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