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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/66/1536601.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_1536601
loop_
_publ_author_name
'Plambeck-Fischer, P.'
'Urland, W.'
'Abriel, W.'
_publ_section_title
;
 Preparation and crystal structure of RE Se1.9 (RE= Ce, Pr)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              164
_journal_page_last               169
_journal_volume                  78
_journal_year                    1989
_chemical_formula_sum            'Pr Se1.9'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   9.296
_cell_length_b                   9.296
_cell_length_c                   16.86
_cell_volume                     1456.967
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Plambeck-Fischer_JSSCBI_1989_1964.cif
_cod_data_source_block           Pr1Se1.9
_cod_original_formula_sum        'Pr1 Se1.9'
_cod_database_code               1536601
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/2
-x+1/2,-y+1/2,z
y+1/2,-x,z+1/2
-x,-y,-z
y,-x-1/2,-z-1/2
x-1/2,y-1/2,-z
-y-1/2,x,-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
Pr1 Pr+3 0.95673 0.65198 0.11968 1 0.0
Pr2 Pr+3 0.14745 0.05352 0.10486 1 0.0
Pr3 Pr+3 0.75 0.25 0.11542 1 0.0
Se5 Se-2 0.14905 0.05217 0.43652 1 0.0
Se1 Se-1 0.06763 0.88078 0.24935 1 0.0
Se2 Se-1 0.31998 0.97145 0.25003 1 0.0
Se3 Se-2 0.25 0.25 0.75 1 0.0
Se6 Se-2 0.75 0.25 0.43451 1 0.0
Se4 Se-2 0.549 0.84789 0.42765 1 0.0
