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srycoo.cif
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srycoo.cif
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#### CIF created by Crystallographica 2 ####
data_StrontiumYttriumCobaltOxide
_audit_creation_method 'Crystallographica 2'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 16
_cell_length_a 7.6239
_cell_length_b 7.6239
_cell_length_c 15.327
_cell_volume 890.864
_cgraph_comments 'Crystal structure of the novel complex cobalt oxide Sr0.7
Y0.3 Co O2.62
'
_cgraph_title 'Strontium Yttrium Cobalt Oxide (0.7/0.3/1/2.62)'
_chemical_formula_sum '(Sr0.7 Y0.3) Co O2.62'
_symmetry_space_group_name_H-M 'I 4/m m m'
_symmetry_space_group_name_Hall '-I 4 2'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, y+1/2, z+1/2'
'-x, -y, -z'
'-x+1/2, -y+1/2, -z+1/2'
'-y, x, z'
'-y+1/2, x+1/2, z+1/2'
'y, -x, -z'
'y+1/2, -x+1/2, -z+1/2'
'-x, -y, z'
'-x+1/2, -y+1/2, z+1/2'
'x, y, -z'
'x+1/2, y+1/2, -z+1/2'
'y, -x, z'
'y+1/2, -x+1/2, z+1/2'
'-y, x, -z'
'-y+1/2, x+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, y, z'
'-x+1/2, y+1/2, z+1/2'
'-x, y, -z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y, z'
'x+1/2, -y+1/2, z+1/2'
'y, x, -z'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, z'
'-y+1/2, -x+1/2, z+1/2'
'-y, -x, -z'
'-y+1/2, -x+1/2, -z+1/2'
'y, x, z'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
Sr1 Sr2+ 0 0 0.8785 0.0146916 Uiso 0.7
Y1 Y3+ 0 0 0.8785 0.0146916 Uiso 0.3
Sr2 Sr2+ 0 0.5 0.867 0.0102588 Uiso 0.7
Y2 Y3+ 0 0.5 0.867 0.0102588 Uiso 0.3
Sr3 Sr2+ 0 0 0.3503 0.00949886 Uiso 0.7
Y3 Y3+ 0 0 0.3503 0.00949886 Uiso 0.3
Co1 Co3+ 0.7483 0.7483 0 0.0135517 Uiso 1
Co2 Co3+ 0.25 0.75 0.25 0.00544601 Uiso 1
O1 O2- 0 0.2494 0.24 0.0100055 Uiso 1
O2 O2- 0.2905 0.2905 0.1176 0.0191244 Uiso 1
O3 O2- 0 0.7241 0 0.0227973 Uiso 1
O4 O2- 0.387 0.5 0 0.00379954 Uiso 0.25
_eof
#### End of Crystallographic Information File ####