#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536131.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_1536131
loop_
_publ_author_name
'Ferrari, A.'
'Cavalca, L.'
_publ_section_title
;
 La struttura del tiofosfato rameoso
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              283
_journal_page_last               285
_journal_volume                  78
_journal_year                    1948
_chemical_formula_sum            'Cu3 P S4'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2bc -2bc'
_symmetry_space_group_name_H-M   'P n m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.46
_cell_length_b                   7.43
_cell_length_c                   6.18
_cell_volume                     296.626
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Ferrari_GCITA9_1948_81.cif
_cod_data_source_block           Cu3P1S4
_cod_original_cell_volume        296.6264
_cod_original_sg_symbol_Hall     'P 2ac -2 (y,-x,z)'
_cod_original_formula_sum        'Cu3 P1 S4'
_cod_database_code               1536131
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
x,-y,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
Cu1 Cu+1 0.165 0 0.5 1 0.0
S3 S-2 0.33 0.255 0.367 1 0.0
P1 P+5 0.82 0 0 1 0.0
Cu2 Cu+1 0.333 0.245 0.99 1 0.0
S1 S-2 0.83 0 0.36 1 0.0
S2 S-2 0.14 0 0.875 1 0.0
