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FePO4a.cif
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FePO4a.cif
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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_pd_phase_name 'Fe4.000 O16.000 P4.000 '
_cell_length_a 9.91283
_cell_length_b 5.91371
_cell_length_c 4.86019
_cell_angle_alpha 89.99667
_cell_angle_beta 89.99899
_cell_angle_gamma 89.99973
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Fe-1 1.0 0.22854 0.75002 0.47245 Biso 1.000 Fe
Fe-2 1.0 0.27147 0.25001 0.97244 Biso 1.000 Fe
Fe-3 1.0 0.72853 0.74999 0.02756 Biso 1.000 Fe
Fe-4 1.0 0.77146 0.24998 0.52755 Biso 1.000 Fe
O-5 1.0 0.05349 0.74997 0.65246 Biso 1.000 O
O-6 1.0 0.11623 0.25001 0.73226 Biso 1.000 O
O-7 1.0 0.17285 0.45199 0.27550 Biso 1.000 O
O-8 1.0 0.17285 0.04804 0.27552 Biso 1.000 O
O-9 1.0 0.32713 0.54804 0.77553 Biso 1.000 O
O-10 1.0 0.32714 0.95199 0.77553 Biso 1.000 O
O-11 1.0 0.38377 0.75000 0.23226 Biso 1.000 O
O-12 1.0 0.44650 0.25000 0.15244 Biso 1.000 O
O-13 1.0 0.55350 0.75000 0.84756 Biso 1.000 O
O-14 1.0 0.61623 0.25000 0.76774 Biso 1.000 O
O-15 1.0 0.67286 0.04801 0.22447 Biso 1.000 O
O-16 1.0 0.67287 0.45196 0.22447 Biso 1.000 O
O-17 1.0 0.82715 0.95196 0.72448 Biso 1.000 O
O-18 1.0 0.82715 0.54801 0.72450 Biso 1.000 O
O-19 1.0 0.88377 0.74999 0.26774 Biso 1.000 O
O-20 1.0 0.94651 0.25003 0.34754 Biso 1.000 O
P-21 1.0 0.09629 0.25003 0.42111 Biso 1.000 P
P-22 1.0 0.40370 0.75002 0.92113 Biso 1.000 P
P-23 1.0 0.59630 0.24998 0.07887 Biso 1.000 P
P-24 1.0 0.90371 0.74997 0.57889 Biso 1.000 P