#------------------------------------------------------------------------------
#$Date: 2015-07-13 19:52:26 +0200 (lun 13 de jul de 2015) $
#$Revision: 150559 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/83/1528393.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_1528393
loop_
_publ_author_name
'Carrillo-Cabrera, W.'
'Lundstroem, T.'
_publ_section_title
;
 Crystal Structure Refinement of alpha-Ti5 P3
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              415
_journal_page_last               419
_journal_volume                  34
_journal_year                    1980
_chemical_formula_sum            'Cu0.02 P3 Ti4.99'
_chemical_name_systematic        '(Ti4.99 Cu.02) P3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7475
_cell_length_b                   7.4403
_cell_length_c                   6.5056
_cell_volume                     471.814
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Carrillo-Cabrera_ACAPCT_1980_43.cif
_cod_data_source_block           Cu0.02P3Ti4.99
_cod_original_cell_volume        471.8143
_cod_database_code               1528393
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Cu1 Cu 0.00142 0.25 0.53 0.02 0.0
Ti1 Ti 0.0722 0.04668 0.19203 1 0.0
P2 P 0.48567 0.25 0.58033 1 0.0
Ti2 Ti 0.22576 0.25 0.83655 1 0.0
P1 P 0.32673 0.49073 0.06897 1 0.0
Ti4 Ti 0.00142 0.25 0.53 0.98 0.0
Ti3 Ti 0.29356 0.25 0.35132 1 0.0
