#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/78/1527899.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_1527899
loop_
_publ_author_name
'Olofsson, O.'
_publ_section_title
;
 The crystal structure of Cu3 P
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2777
_journal_page_last               2787
_journal_volume                  26
_journal_year                    1972
_chemical_formula_sum            'Cu3 P'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.9593
_cell_length_b                   6.9593
_cell_length_c                   7.143
_cell_volume                     299.600
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Olofsson_ACSAA4_1972_1214.cif
_cod_data_source_block           Cu3P1
_cod_original_cell_volume        299.6004
_cod_original_formula_sum        'Cu3 P1'
_cod_database_code               1527899
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,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
Cu4 Cu+1 0 0 0.3213 1 0.0
Cu2 Cu+1 0.3761 0 0.4246 1 0.0
Cu1 Cu+1 0.2806 0 0.0765 1 0.0
P1 P-3 0.3322 0 0.75 1 0.0
Cu3 Cu+1 0.3333 0.6667 0.1998 1 0.0
