#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu 27 de Sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533381.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_1533381
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           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   3.2407
_cell_length_b                   10.1919
_cell_length_c                   4.2388
_cell_volume                     140.003
_citation_journal_id_ASTM        PSSBBD
_cod_data_source_file            Ahuja_PSSBBD_2003_664.cif
_cod_data_source_block           P1
_cod_original_cell_volume        140.0029
_cod_original_formula_sum        P1
_cod_struct_determination_method theoretical
_cod_database_code               1533381
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
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 0.1013 0.0789 1 0.0
