data_9012125
_publ_section_title
;
 On the formation of FeSe2 single crystals by chemical transport reactions
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              366
_journal_page_last               368
_journal_paper_doi               10.1016/0022-4596(75)90293-5
_journal_volume                  15
_journal_year                    1975
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.804
_cell_length_b                   5.784
_cell_length_c                   3.586
_cell_volume                     99.642
_exptl_crystal_density_diffrn    7.125
_cod_database_code               9012125
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00728 0.00523 0.01202 0.00004 0.00000 0.00000
Se 0.00783 0.00675 0.01272 -0.00052 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.00000 0.00000
Se 0.21340 0.36900 0.00000
