data_22251-ICSD
#©2007 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                22251
_audit_creation_date               1980/01/01
_audit_update_record               2006/04/01
_chemical_name_systematic          Selenium
_chemical_formula_structural       Se
_chemical_formula_sum              Se1
_chemical_name_mineral             Selenium
_publ_section_title
;
The crystal structure of trigonal selenium
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Inorganic Chemistry' 1967 6 1589 1591 INOCAJ
2 'Acta Crystallographica (1,1948-23,1967)' 1966 21 46 46 ACCRA9
3 'National Bureau of Standards (U.S.), Circular' 1955 539 1 75 NBSCAA
4 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Cherin, P.;Unger, P.'
_cell_length_a                     4.3662
_cell_length_b                     4.3662
_cell_length_c                     4.9536
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       81.78
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_Int_Tables_number        152
_refine_ls_R_factor_all            0.032
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z+2/3'
  2	'-x, -x+y, -z+1/3'
  3	'y, x, -z'
  4	'-x+y, -x, z+2/3'
  5	'-y, x-y, z+1/3'
  6	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Se0+	0
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
Se1 Se0+ 3 a 0.2254(10) 0 0.3333 1. 0 

#End of data_22251-ICSD