data_36437-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                36437
_audit_creation_date               1980/01/01
_audit_update_record               1984/12/04
_chemical_name_systematic          Phosphorus
_chemical_formula_structural       P
_chemical_formula_sum              P1
_publ_section_title
;
Effect of pressure on bonding in black phosphorus.
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Chemical Physics' 1979 71 1718 1721 JCPSA6
_publ_author_name
;
Cartz, L.;Srinivasa, S.R.;Riedner, R.J.;Jorgensen, J.D.;Worlton, T.G.
;
_cell_length_a                     3.3116(7)
_cell_length_b                     10.260(4)
_cell_length_c                     4.289(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       145.73
_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            0.03
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
P1 P0+ 8 f 0 0.1050(6) 0.0782(9) 1. 0 

#End of data_36437-ICSD


