data_1527062
_publ_section_title
;
 Magnetic structure of rhombohedral Cr2 Se3
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1548
_journal_page_last               1559
_journal_volume                  63
_journal_year                    1994
_chemical_formula_sum            'Cr2 Se3'
_chemical_name_systematic        'Cr2 Se3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.25
_cell_length_b                   6.25
_cell_length_c                   17.28
_cell_volume                     584.567
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Adachi_JUPSAU_1994_386.cif
_cod_data_source_block           Cr2Se3
_cod_original_cell_volume        584.5672
_cod_database_code               1527062
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cr3 Cr+3 0 0 0.33 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
Se1 Se-2 0.337 0.999 0.251 1 0.0
Cr2 Cr+3 0 0 0.5 1 0.0
