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#$Date: 2015-09-06 16:01:13 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154814 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529903.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_1529903
loop_
_publ_author_name
'Eliseev, A.A.'
'Uspenskaya, S.I.'
'Fedorov, A.A.'
_publ_section_title
;
 About the crystal structure of neodymium disulfide
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1485
_journal_page_last               1488
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'Nd S2'
_chemical_name_systematic        'Nd S2'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.022
_cell_length_b                   4.022
_cell_length_c                   8.031
_cell_volume                     129.913
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Eliseev_ZNOKAQ_1971_974.cif
_cod_data_source_block           Nd1S2
_cod_cif_authors_sg_Hall         '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_cell_volume        129.9133
_cod_chemical_formula_sum_orig   'Nd1 S2'
_cod_database_code               1529903
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+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
S1 S 0 0 0 1 0.0
Nd1 Nd 0 0.5 0.273 1 0.0
S2 S 0 0.5 0.636 1 0.0