#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/24/9012499.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_9012499
loop_
_publ_author_name
'Crichton, W. A.'
'Mezouar, M.'
'Monaco, G.'
'Falconi, S.'
_publ_section_title
;
 Phosphorus: new in situ powder data from large-volume apparatus
 Locality: synthetic
 Sample: at P = 1.2 GPa and T = 1100 K
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              155
_journal_page_last               158
_journal_paper_doi               10.1154/1.1545115
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            P
_chemical_name_mineral           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                   3.3199
_cell_length_b                   10.3678
_cell_length_c                   4.3154
_cell_formula_units_Z            8
_cell_volume                     148.536
_diffrn_ambient_pressure         1.2e+06
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    2.770
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012499
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
P 0.04810 0.04010 0.07730 0.00000 0.00000 -0.05900
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P 0.50000 0.10437 0.91790
_database_code_amcsd 0015324
