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#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/16/1531685.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_1531685
loop_
_publ_author_name
'Lauxmann, P.'
'Schleid, T.'
'Strobel, S.'
_publ_section_title
;
 Einkristalle von Cu Pr S2 im A- und Pr2 S3 im C-Typ bei Versuchen zur
 Synthese ternaerer Kupfer(I) - Praseodym(III) - Sulfide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2403
_journal_page_last               2408
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cu Pr S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.686
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5572
_cell_length_b                   7.2249
_cell_length_c                   6.8681
_cell_volume                     321.645
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lauxmann_ZAACAB_2002_1021.cif
_cod_data_source_block           Cu1Pr1S2
_cod_original_cell_volume        321.6452
_cod_original_formula_sum        'Cu1 Pr1 S2'
_cod_database_code               1531685
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
Pr1 Pr+3 0.80755 0.05263 0.19761 1 0.0
Cu1 Cu+1 0.4135 0.1558 0.4372 1 0.0
S1 S-2 0.4116 0.6161 0.7196 1 0.0
S2 S-2 0.0832 0.2279 0.5008 1 0.0
