data_9013959
_publ_section_title
;
 Mise en evidence de CaFe4O6 et determination des structures cristalline des
 ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              112
_journal_page_last               119
_journal_paper_doi               10.1016/0022-4596(80)90471-5
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     CaFe3O5
_chemical_formula_sum            'Ca Fe3 O5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.021
_cell_length_b                   10.009
_cell_length_c                   12.643
_cell_volume                     382.289
_exptl_crystal_density_diffrn    4.997
_cod_database_code               9013959
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-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 0.00000 0.52010 0.25000 0.00735
Fe2+ 0.00000 0.00000 0.00000 0.00608
Fe3+ 0.00000 0.26640 0.11120 0.00469
O1 0.00000 0.19100 0.25000 0.00773
O2 0.00000 0.64390 0.44840 0.00836
O3 0.00000 0.90480 0.13500 0.00899
