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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/29/7222925.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_7222925
loop_
_publ_author_name
'Urland, W.'
'Plambeck-Fischer, P.'
'Grupe, M.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Nd Se1.9
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              261
_journal_page_last               264
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'Nd Se1.9'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   9.2536
_cell_length_b                   9.2536
_cell_length_c                   16.792
_cell_volume                     1437.884
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Urland_ZNBSEN_1989_1823.cif
_cod_data_source_block           Nd1Se1.9
_cod_original_formula_sum        'Nd1 Se1.9'
_cod_database_code               7222925
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/2
-x+1/2,-y+1/2,z
y+1/2,-x,z+1/2
-x,-y,-z
y,-x-1/2,-z-1/2
x-1/2,y-1/2,-z
-y-1/2,x,-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
Nd2 Nd 0.05356 0.14704 0.10484 1 0.0
Se2 Se 0.97216 0.31969 0.25 1 0.0
Se3 Se 0.75 0.75 0.25 1 0.0
Nd1 Nd 0.95719 0.84798 0.37985 1 0.0
Se5 Se 0.35081 0.05247 0.06313 1 0.0
Se4 Se 0.95106 0.84766 0.07221 1 0.0
Se6 Se 0.25 0.75 0.43478 1 0.0
Nd3 Nd 0.75 0.25 0.38413 1 0.0
Se1 Se 0.88012 0.06712 0.24935 1 0.0
