#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu 27 de Sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533384.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533384
loop_
_publ_author_name
'Ahuja, R.'
_publ_section_title
;
 Calculated high pressure crystal structure transformations for phosphorus
;
_journal_name_full
'Physica Status Solidi, Sectio B: Basic Research'
_journal_page_first              282
_journal_page_last               287
_journal_paper_doi               10.1002/pssb.200301569
_journal_volume                  235
_journal_year                    2003
_chemical_formula_sum            P
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                57.51
_cell_angle_beta                 57.51
_cell_angle_gamma                57.51
_cell_formula_units_Z            2
_cell_length_a                   3.5649
_cell_length_b                   3.5649
_cell_length_c                   3.5649
_cell_volume                     30.201
_citation_journal_id_ASTM        PSSBBD
_cod_data_source_file            Ahuja_PSSBBD_2003_666.cif
_cod_data_source_block           P1
_cod_original_cell_volume        30.20065
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        P1
_cod_struct_determination_method theoretical
_cod_database_code               1533384
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P 0.2313 0.2313 0.2313 1 0.0
