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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/22/1532261.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_1532261
loop_
_publ_author_name
'Weber, F.A.'
'Schleid, T.'
_publ_section_title
;
 Vier Oxidselenide des Praseodyms: Pr10 O Se14, Pr2 O Se2, Pr2 O2 Seund
 Pr4 O4 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1383
_journal_page_last               1388
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'O Pr2 Se2'
_chemical_name_systematic        'Pr2 O Se2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.288
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8205
_cell_length_b                   7.3289
_cell_length_c                   7.3294
_cell_volume                     466.188
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weber_ZAACAB_2001_8.cif
_cod_data_source_block           O1Pr2Se2
_cod_original_cell_volume        466.1882
_cod_original_formula_sum        'O1 Pr2 Se2'
_cod_database_code               1532261
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Pr2 Pr+3 0.14172 0.55351 0.75435 1 0.0
Pr1 Pr+3 0.5741 0.64943 0.82376 1 0.0
Se1 Se-2 0.68023 0.12865 0.06627 1 0.0
Se2 Se-2 0.07857 0.27722 0.02885 1 0.0
O1 O-2 0.3852 0.0844 0.3507 1 0.0
