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La4Fe4O12.cif
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La4Fe4O12.cif
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# generated using pymatgen
data_LaFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60080532
_cell_length_b 5.66192367
_cell_length_c 7.94467088
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaFeO3
_chemical_formula_sum 'La4 Fe4 O12'
_cell_volume 251.936097594
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O O1 1 0.712594 0.287975 0.453725 1
O O2 1 0.212594 0.212025 0.546275 1
O O3 1 0.787406 0.787975 0.046275 1
O O4 1 0.287406 0.712025 0.953725 1
O O5 1 0.287406 0.712025 0.546275 1
O O6 1 0.787406 0.787975 0.453725 1
O O7 1 0.212594 0.212025 0.953725 1
O O8 1 0.712594 0.287975 0.046275 1
O O9 1 0.086120 0.478265 0.250000 1
O O10 1 0.586120 0.021735 0.750000 1
O O11 1 0.413880 0.978265 0.250000 1
O O12 1 0.913880 0.521735 0.750000 1
Fe Fe13 1 0.500000 0.000000 0.500000 1
Fe Fe14 1 0.000000 0.500000 0.500000 1
Fe Fe15 1 0.000000 0.500000 0.000000 1
Fe Fe16 1 0.500000 0.000000 0.000000 1
La La17 1 0.009381 0.961741 0.750000 1
La La18 1 0.509381 0.538259 0.250000 1
La La19 1 0.490619 0.461741 0.750000 1
La La20 1 0.990619 0.038259 0.250000 1