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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/2/31/10/2311036.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_2311036
loop_
_publ_author_name
'Zick, H.A.'
_publ_section_title
;
 The crystal structure and lattice parameters of some rare earth
 mono-seleno oxides
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              161
_journal_page_last               161
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'O2 Pr2 Se'
_chemical_name_systematic        'Pr2 O2 Se'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.009
_cell_length_b                   4.009
_cell_length_c                   7.031
_cell_volume                     97.863
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Zick_ACCRA9_1960_987.cif
_cod_data_source_block           O2Pr2Se1
_cod_original_cell_volume        97.86329
_cod_original_formula_sum        'O2 Pr2 Se1'
_cod_database_code               2311036
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
O1 O-2 0.3333 0.6667 0.62 1 0.0
Se1 Se-2 0 0 0 1 0.0
Pr1 Pr+3 0.3333 0.6667 0.29 1 0.0
