data_23836-ICSD
#©2005 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23836
_audit_creation_date               1980/01/01
_chemical_name_systematic          'Phosphorus - Black'
_chemical_formula_structural       P
_chemical_formula_sum              P1
_publ_section_title
;
Refinement of the crystal structure of black phosphorus
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1965 19 684 685 ACCRA9
loop_
_publ_author_name
'Brown, A.'
'Rundqvist, S.'
_cell_length_a                     3.3136(5)
_cell_length_b                     10.478(1)
_cell_length_c                     4.3763(5)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       151.94
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C m c a'
_symmetry_Int_Tables_number        64
_refine_ls_R_factor_all            0.056
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x, -y+1/2, z+1/2'
  2	'-x, y+1/2, -z+1/2'
  3	'-x, y, z'
  4	'-x, -y, -z'
  5	'x, y+1/2, -z+1/2'
  6	'x, -y+1/2, z+1/2'
  7	'x, -y, -z'
  8	'x, y, z'
  9	'-x+1/2, -y, z+1/2'
 10	'-x+1/2, y, -z+1/2'
 11	'-x+1/2, y+1/2, z'
 12	'-x+1/2, -y+1/2, -z'
 13	'x+1/2, y, -z+1/2'
 14	'x+1/2, -y, z+1/2'
 15	'x+1/2, -y+1/2, -z'
 16	'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
P0+   	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
_atom_site_B_iso_or_equiv
P1 P0+ 8 f 0 0.10168(9) 0.08056(28) 1. 0 0.798 

#End of data_23836-ICSD