#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/68/1526830.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_1526830
loop_
_publ_author_name
'Lauxmann, P.'
'Schleid, T.'
_publ_section_title
;
 Cu Y S2 : ein ternaeres Kupfer(I) - Yttrium(III) - Sulfid mit Ketten (1
 infty)((Cu (S1)3/3 (S2)1/1)(3-)) cis-kantenverknuepfter (Cu S4)(7-) -
 Tetraeder
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1608
_journal_page_last               1612
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cu S2 Y'
_chemical_name_systematic        'Cu Y S2'
_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                   13.453
_cell_length_b                   3.9812
_cell_length_c                   6.2908
_cell_volume                     336.929
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lauxmann_ZAACAB_2000_749.cif
_cod_data_source_block           Cu1S2Y1
_cod_original_cell_volume        336.9295
_cod_original_formula_sum        'Cu1 S2 Y1'
_cod_database_code               1526830
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+1 0.4465 0.25 0.3919 1 0.0
S1 S-2 0.4623 0.25 0.7597 1 0.0
Y1 Y+3 0.13488 0.25 0.4925 1 0.0
S2 S-2 0.2934 0.25 0.231 1 0.0
