data_global
_amcsd_formula_title 'Ca3 Mn3 O8.02'
loop_
_publ_author_name
'Nguyen N'
'Calage Y'
'Varret F'
'Ferey G'
'Caignaert V'
'Hervieu M'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 53 
_journal_year 1984
_journal_page_first 398
_journal_page_last 405
_publ_section_title
;
 The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly
 frustrated antiferromagnet
 _cod_database_code 1000194
;
_database_code_amcsd 0013529
_chemical_formula_sum 'Ca3 Mn3 O8'
_cell_length_a 5.332
_cell_length_b 11.13
_cell_length_c 5.455
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 323.728
_exptl_crystal_density_diffrn      4.237
_symmetry_space_group_name_H-M 'P m 2 a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,-z'
  '1/2-x,y,z'
  '-x,y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.25000   0.50000   0.75000   1.00000
Ca2   0.24000   0.18300   0.70000   0.50000
Ca3   0.24000   0.83400   0.70000   0.50000
Mn1   0.27000   0.33200   0.25900   0.50000
Mn2   0.25000   0.66500   0.25500   1.00000
Mn3   0.23200   0.00000   0.23700   0.50000
O1   0.00000   0.32900   0.00000   1.00000
O2   0.00000   0.66500   0.00000   1.00000
O3   0.00000   0.33000   0.50000   1.00000
O4   0.00000   0.66000   0.50000   1.00000
O5   0.25000   0.50000   0.25000   0.70000
O6   0.25000   0.17000   0.25000   1.00000
O7   0.25000   0.82900   0.25000   1.00000
O8   0.00000   0.01000   0.00000   1.00000
O9   0.00000   0.01000   0.50000   0.30000