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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107069.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107069
loop_
_publ_author_name
'Franzen, H.F.'
'Norrby, L.J.'
_publ_section_title
;
 The crystal structure of Zr2 Se
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              601
_journal_page_last               603
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Se Zr2'
_chemical_name_systematic        'Zr2 Se'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   15.7968
_cell_length_b                   12.64
_cell_length_c                   3.6016
_cell_volume                     719.137
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Franzen_ACBCAR_1968_1982.cif
_cod_data_source_block           Se1Zr2
_cod_original_formula_sum        'Se1 Zr2'
_cod_database_code               2107069
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
Zr5 Zr 0.2028 0.7988 0 1 0.0
Zr6 Zr 0.4221 0.8767 0 1 0.0
Se2 Se 0.4191 0.2447 0 1 0.0
Se1 Se 0.2083 0.4206 0 1 0.0
Zr1 Zr 0.0242 0.1522 0 1 0.0
Se3 Se 0.3476 0.6806 0 1 0.0
Zr3 Zr 0.0801 0.5829 0 1 0.0
Zr2 Zr 0.2534 0.0775 0 1 0.0
Zr4 Zr 0.3912 0.4681 0 1 0.0
