#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/88/1538873.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_1538873
loop_
_publ_author_name
'Kroenert, W.'
_publ_section_title
;
 Die Struktur des Zirkontriselenids Zr Se3
;
_journal_name_full               Naturwissenschaften
_journal_page_first              416
_journal_page_last               416
_journal_volume                  45
_journal_year                    1958
_chemical_formula_sum            'Se3 Zr'
_chemical_name_systematic        'Zr Se3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.41
_cell_length_b                   3.77
_cell_length_c                   9.45
_cell_volume                     191.090
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Kroenert_NATWAY_1958_1984.cif
_cod_data_source_block           Se3Zr1
_cod_original_cell_volume        191.0904
_cod_original_formula_sum        'Se3 Zr1'
_cod_database_code               1538873
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
Se1 Se 0.888 0.75 0.169 1 0.0
Se2 Se 0.455 0.75 0.175 1 0.0
Zr1 Zr 0.715 0.25 0.343 1 0.0
Se3 Se 0.764 0.75 0.553 1 0.0
