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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/24/9012494.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012494
loop_
_publ_author_name
'Cartz, L.'
'Srinivasa, S. R.'
'Riedner, R. J.'
'Jorgensen, J. D.'
'Worlton, T. G.'
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = 2.16 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3114
_cell_length_b                   10.189
_cell_formula_units_Z            8
_cell_length_c                   4.254
_cell_volume                     143.529
_diffrn_ambient_pressure         2.16e+06
_exptl_crystal_density_diffrn    2.867
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012494
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P 0.00000 0.10530 0.07690
_database_code_amcsd 0013016
