data_1008922
_publ_section_title              'Etude de seleniures de chrome.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              145
_journal_page_last               147
_journal_volume                  253
_journal_year                    1961
_chemical_formula_structural     'Cr7 Se8'
_chemical_formula_sum            'Cr7 Se8'
_chemical_name_systematic        'Chromium selenide (7/8)'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_H-M   'F 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.25(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.664(10)
_cell_length_b                   7.374(8)
_cell_length_c                   11.979(6)
_cell_volume                     1118.4
_refine_ls_R_factor_all          0.18
_cod_database_code               1008922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x,-y,z
-x,-y,-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cr1 Cr0 4 b 0. 0.5 0. 1. 0 d
Cr2 Cr0 8 e 0.25 0.25 0. 1. 0 d
Cr3 Cr0 8 h 0.25 0.244 0.25 1. 0 d
Cr4 Cr0 8 i 0.494 0. 0.268 1. 0 d
Se1 Se0 8 i 0.173 0. 0.122 1. 0 d
Se2 Se0 8 i 0.669 0. 0.126 1. 0 d
Se3 Se0 16 j 0.422 0.24 0.131 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr0 0.000
Se0 0.000
