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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/1/53/65/1536599.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_1536599
loop_
_publ_author_name
'Plambeck-Fischer, P.'
'Abriel, W.'
'Urland, 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            'Ce 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                   9.3598
_cell_length_b                   9.3598
_cell_length_c                   16.938
_cell_volume                     1483.868
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Plambeck-Fischer_JSSCBI_1989_1960.cif
_cod_data_source_block           Ce1Se1.9
_cod_original_formula_sum        'Ce1 Se1.9'
_cod_database_code               1536599
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
Ce1 Ce+3 0.95706 0.65221 0.12003 1 0.0
Se1 Se-1 0.06866 0.8819 0.24929 1 0.0
Se2 Se-1 0.3185 0.97176 0.25024 1 0.0
Ce3 Ce+3 0.75 0.25 0.11522 1 0.0
Se6 Se-2 0.75 0.25 0.43426 1 0.0
Se3 Se-2 0.25 0.25 0.75 1 0.0
Ce2 Ce+3 0.14732 0.05398 0.10446 1 0.0
Se5 Se-2 0.1488 0.05211 0.43661 1 0.0
Se4 Se-2 0.54888 0.84779 0.42711 1 0.0
