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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106490.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_2106490
loop_
_publ_author_name
'Brown, D.'
'Petcher, T.J.'
'Smith, A.J.'
_publ_section_title
;
 The Crystal Structure of Protactinium oxytribromide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1382
_journal_page_last               1385
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Br3 O Pa'
_chemical_name_systematic        'Pa O Br3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.911
_cell_length_b                   3.871
_cell_length_c                   9.334
_cell_volume                     559.623
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Brown_ACBCAR_1975_1977.cif
_cod_data_source_block           Br3O1Pa1
_cod_original_cell_volume        559.6229
_cod_original_formula_sum        'Br3 O1 Pa1'
_cod_database_code               2106490
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O1 O-2 0.231 0.5 0.421 1 0.0
Pa1 Pa+5 0.196 0 0.3151 1 0.0
Br2 Br-1 0.33 0 0.2495 1 0.0
Br3 Br-1 0.1169 0.5 0.0659 1 0.0
Br1 Br-1 0.0479 0 0.3503 1 0.0
