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北京石油化工学院2026年研究生招生接收调剂公告
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1023346377

金虫 (小有名气)

[求助] 求四氧化三铁尖晶石cif文件 已有1人参与

求四氧化三铁尖晶石cif文件
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rlafite

木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'Fe3 O4'
_cell_length_a                         8.399120
_cell_length_b                         8.399120
_cell_length_c                         8.399120
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           592.517811
_space_group_name_H-M_alt              'F d -3 m'
_space_group_IT_number                 227

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-x, -y, -z'
   '-x+3/4t, -y+1/4t, z+1/2t'
   'x+1/4t, y+3/4t, -z+1/2t'
   '-x+1/4t, y+1/2t, -z+3/4t'
   'x+3/4t, -y+1/2t, z+1/4t'
   'x+1/2t, -y+3/4t, -z+1/4t'
   '-x+1/2t, y+1/4t, z+3/4t'
   'z, x, y'
   '-z, -x, -y'
   'z+1/2t, -x+3/4t, -y+1/4t'
   '-z+1/2t, x+1/4t, y+3/4t'
   '-z+3/4t, -x+1/4t, y+1/2t'
   'z+1/4t, x+3/4t, -y+1/2t'
   '-z+1/4t, x+1/2t, -y+3/4t'
   'z+3/4t, -x+1/2t, y+1/4t'
   'y, z, x'
   '-y, -z, -x'
   '-y+1/4t, z+1/2t, -x+3/4t'
   'y+3/4t, -z+1/2t, x+1/4t'
   'y+1/2t, -z+3/4t, -x+1/4t'
   '-y+1/2t, z+1/4t, x+3/4t'
   '-y+3/4t, -z+1/4t, x+1/2t'
   'y+1/4t, z+3/4t, -x+1/2t'
   'y+3/4t, x+1/4t, -z+1/2t'
   '-y+1/4t, -x+3/4t, z+1/2t'
   '-y, -x, -z'
   'y, x, z'
   'y+1/4t, -x+1/2t, z+3/4t'
   '-y+3/4t, x+1/2t, -z+1/4t'
   '-y+1/2t, x+3/4t, z+1/4t'
   'y+1/2t, -x+1/4t, -z+3/4t'
   'x+3/4t, z+1/4t, -y+1/2t'
   '-x+1/4t, -z+3/4t, y+1/2t'
   '-x+1/2t, z+3/4t, y+1/4t'
   'x+1/2t, -z+1/4t, -y+3/4t'
   '-x, -z, -y'
   'x, z, y'
   'x+1/4t, -z+1/2t, y+3/4t'
   '-x+3/4t, z+1/2t, -y+1/4t'
   'z+3/4t, y+1/4t, -x+1/2t'
   '-z+1/4t, -y+3/4t, x+1/2t'
   'z+1/4t, -y+1/2t, x+3/4t'
   '-z+3/4t, y+1/2t, -x+1/4t'
   '-z+1/2t, y+3/4t, x+1/4t'
   'z+1/2t, -y+1/4t, -x+3/4t'
   '-z, -y, -x'
   'z, y, x'
   'x, y+1/2t, z+1/2t'
   '-x, -y+1/2t, -z+1/2t'
   '-x+3/4t, -y+3/4t, z'
   'x+1/4t, y+1/4t, -z'
   '-x+1/4t, y, -z+1/4t'
   'x+3/4t, -y, z+3/4t'
   'x+1/2t, -y+1/4t, -z+3/4t'
   '-x+1/2t, y+3/4t, z+1/4t'
   'z, x+1/2t, y+1/2t'
   '-z, -x+1/2t, -y+1/2t'
   'z+1/2t, -x+1/4t, -y+3/4t'
   '-z+1/2t, x+3/4t, y+1/4t'
   '-z+3/4t, -x+3/4t, y'
   'z+1/4t, x+1/4t, -y'
   '-z+1/4t, x, -y+1/4t'
   'z+3/4t, -x, y+3/4t'
   'y, z+1/2t, x+1/2t'
   '-y, -z+1/2t, -x+1/2t'
   '-y+1/4t, z, -x+1/4t'
   'y+3/4t, -z, x+3/4t'
   'y+1/2t, -z+1/4t, -x+3/4t'
   '-y+1/2t, z+3/4t, x+1/4t'
   '-y+3/4t, -z+3/4t, x'
   'y+1/4t, z+1/4t, -x'
   'y+3/4t, x+3/4t, -z'
   '-y+1/4t, -x+1/4t, z'
   '-y, -x+1/2t, -z+1/2t'
   'y, x+1/2t, z+1/2t'
   'y+1/4t, -x, z+1/4t'
   '-y+3/4t, x, -z+3/4t'
   '-y+1/2t, x+1/4t, z+3/4t'
   'y+1/2t, -x+3/4t, -z+1/4t'
   'x+3/4t, z+3/4t, -y'
   '-x+1/4t, -z+1/4t, y'
   '-x+1/2t, z+1/4t, y+3/4t'
   'x+1/2t, -z+3/4t, -y+1/4t'
   '-x, -z+1/2t, -y+1/2t'
   'x, z+1/2t, y+1/2t'
   'x+1/4t, -z, y+1/4t'
   '-x+3/4t, z, -y+3/4t'
   'z+3/4t, y+3/4t, -x'
   '-z+1/4t, -y+1/4t, x'
   'z+1/4t, -y, x+1/4t'
   '-z+3/4t, y, -x+3/4t'
   '-z+1/2t, y+1/4t, x+3/4t'
   'z+1/2t, -y+3/4t, -x+1/4t'
   '-z, -y+1/2t, -x+1/2t'
   'z, y+1/2t, x+1/2t'
   'x+1/2t, y, z+1/2t'
   '-x+1/2t, -y, -z+1/2t'
   '-x+1/4t, -y+1/4t, z'
   'x+3/4t, y+3/4t, -z'
   '-x+3/4t, y+1/2t, -z+1/4t'
   'x+1/4t, -y+1/2t, z+3/4t'
   'x, -y+3/4t, -z+3/4t'
   '-x, y+1/4t, z+1/4t'
   'z+1/2t, x, y+1/2t'
   '-z+1/2t, -x, -y+1/2t'
   'z, -x+3/4t, -y+3/4t'
   '-z, x+1/4t, y+1/4t'
   '-z+1/4t, -x+1/4t, y'
   'z+3/4t, x+3/4t, -y'
   '-z+3/4t, x+1/2t, -y+1/4t'
   'z+1/4t, -x+1/2t, y+3/4t'
   'y+1/2t, z, x+1/2t'
   '-y+1/2t, -z, -x+1/2t'
   '-y+3/4t, z+1/2t, -x+1/4t'
   'y+1/4t, -z+1/2t, x+3/4t'
   'y, -z+3/4t, -x+3/4t'
   '-y, z+1/4t, x+1/4t'
   '-y+1/4t, -z+1/4t, x'
   'y+3/4t, z+3/4t, -x'
   'y+1/4t, x+1/4t, -z'
   '-y+3/4t, -x+3/4t, z'
   '-y+1/2t, -x, -z+1/2t'
   'y+1/2t, x, z+1/2t'
   'y+3/4t, -x+1/2t, z+1/4t'
   '-y+1/4t, x+1/2t, -z+3/4t'
   '-y, x+3/4t, z+3/4t'
   'y, -x+1/4t, -z+1/4t'
   'x+1/4t, z+1/4t, -y'
   '-x+3/4t, -z+3/4t, y'
   '-x, z+3/4t, y+3/4t'
   'x, -z+1/4t, -y+1/4t'
   '-x+1/2t, -z, -y+1/2t'
   'x+1/2t, z, y+1/2t'
   'x+3/4t, -z+1/2t, y+1/4t'
   '-x+1/4t, z+1/2t, -y+3/4t'
   'z+1/4t, y+1/4t, -x'
   '-z+3/4t, -y+3/4t, x'
   'z+3/4t, -y+1/2t, x+1/4t'
   '-z+1/4t, y+1/2t, -x+3/4t'
   '-z, y+3/4t, x+3/4t'
   'z, -y+1/4t, -x+1/4t'
   '-z+1/2t, -y, -x+1/2t'
   'z+1/2t, y, x+1/2t'
   'x+1/2t, y+1/2t, z'
   '-x+1/2t, -y+1/2t, -z'
   '-x+1/4t, -y+3/4t, z+1/2t'
   'x+3/4t, y+1/4t, -z+1/2t'
   '-x+3/4t, y, -z+3/4t'
   'x+1/4t, -y, z+1/4t'
   'x, -y+1/4t, -z+1/4t'
   '-x, y+3/4t, z+3/4t'
   'z+1/2t, x+1/2t, y'
   '-z+1/2t, -x+1/2t, -y'
   'z, -x+1/4t, -y+1/4t'
   '-z, x+3/4t, y+3/4t'
   '-z+1/4t, -x+3/4t, y+1/2t'
   'z+3/4t, x+1/4t, -y+1/2t'
   '-z+3/4t, x, -y+3/4t'
   'z+1/4t, -x, y+1/4t'
   'y+1/2t, z+1/2t, x'
   '-y+1/2t, -z+1/2t, -x'
   '-y+3/4t, z, -x+3/4t'
   'y+1/4t, -z, x+1/4t'
   'y, -z+1/4t, -x+1/4t'
   '-y, z+3/4t, x+3/4t'
   '-y+1/4t, -z+3/4t, x+1/2t'
   'y+3/4t, z+1/4t, -x+1/2t'
   'y+1/4t, x+3/4t, -z+1/2t'
   '-y+3/4t, -x+1/4t, z+1/2t'
   '-y+1/2t, -x+1/2t, -z'
   'y+1/2t, x+1/2t, z'
   'y+3/4t, -x, z+3/4t'
   '-y+1/4t, x, -z+1/4t'
   '-y, x+1/4t, z+1/4t'
   'y, -x+3/4t, -z+3/4t'
   'x+1/4t, z+3/4t, -y+1/2t'
   '-x+3/4t, -z+1/4t, y+1/2t'
   '-x, z+1/4t, y+1/4t'
   'x, -z+3/4t, -y+3/4t'
   '-x+1/2t, -z+1/2t, -y'
   'x+1/2t, z+1/2t, y'
   'x+3/4t, -z, y+3/4t'
   '-x+1/4t, z, -y+1/4t'
   'z+1/4t, y+3/4t, -x+1/2t'
   '-z+3/4t, -y+1/4t, x+1/2t'
   'z+3/4t, -y, x+3/4t'
   '-z+1/4t, y, -x+1/4t'
   '-z, y+1/4t, x+1/4t'
   'z, -y+3/4t, -x+3/4t'
   '-z+1/2t, -y+1/2t, -x'
   'z+1/2t, y+1/2t, x'

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_U_iso_or_equiv
   _atom_site_type_symbol
   FeA        1.0     0.125000     0.125000     0.125000    Uiso  1.000000 Fe
   FeB        0.9995  0.500000     0.500000     0.500000    Uiso  1.000000 Fe
   O          1.0     0.255500     0.255500     0.255500    Uiso  1.000000 O
2楼2025-11-02 00:05:48
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