#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/21/1532153.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_1532153
loop_
_publ_author_name
'Strobel, S.'
'Schleid, T.'
_publ_section_title
;
 Einkristalle von Cu Nd Se2 im (Cu La S2)-Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2211
_journal_page_last               2211
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cu Nd Se2'
_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                 97.365
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6897
_cell_length_b                   7.4141
_cell_length_c                   7.0932
_cell_volume                     348.907
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Strobel_ZAACAB_2002_1019.cif
_cod_data_source_block           Cu1Nd1Se2
_cod_original_cell_volume        348.9068
_cod_original_formula_sum        'Cu1 Nd1 Se2'
_cod_database_code               1532153
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
Se1 Se-2 0.4027 0.6106 0.71959 1 0.0
Nd1 Nd+3 0.807 0.04801 0.19902 1 0.0
Cu1 Cu+1 0.4252 0.1614 0.4489 1 0.0
Se2 Se-2 0.08004 0.22589 0.49993 1 0.0
