data_9015076
_publ_section_title
;
 Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) -
 Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe)
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              276
_journal_page_last               280
_journal_volume                  1972
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Se'
_chemical_name_mineral           Achavalite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.636
_cell_length_b                   3.636
_cell_length_c                   5.946
_cell_volume                     68.077
_database_code_amcsd             0019171
_exptl_crystal_density_diffrn    6.576
_cod_database_code               9015076
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.00000 0.00000
Se 0.33333 0.66667 0.25000
