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