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data_BaLa2Ir |
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_symmetry_space_group_name_H-M 'P 1' |
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_cell_length_a 4.31195990 |
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_cell_length_b 4.31195990 |
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_cell_length_c 10.26642368 |
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_cell_angle_alpha 78.20801706 |
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_cell_angle_beta 78.20801706 |
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_cell_angle_gamma 60.16788176 |
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_symmetry_Int_Tables_number 1 |
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_chemical_formula_structural BaLa2Ir |
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_chemical_formula_sum 'Ba1 La2 Ir1' |
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_cell_volume 160.90462145 |
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_cell_formula_units_Z 1 |
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loop_ |
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_symmetry_equiv_pos_site_id |
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_symmetry_equiv_pos_as_xyz |
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1 'x, y, z' |
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loop_ |
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_atom_site_type_symbol |
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_atom_site_label |
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_atom_site_symmetry_multiplicity |
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_atom_site_fract_x |
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_atom_site_fract_y |
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_atom_site_fract_z |
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_atom_site_occupancy |
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Ba Ba0 1 0.99717963 0.99717963 0.79013073 1.0 |
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La La1 1 0.46543049 0.46543049 0.42972222 1.0 |
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La La2 1 0.22580816 0.22580816 0.13758123 1.0 |
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|
Ir Ir3 1 0.84620949 0.84620949 0.28321457 1.0 |
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