#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535328.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_1535328
loop_
_publ_author_name
'Michaelis, C.'
'Borrmann, H.'
'Mattausch, H.J.'
'Cockcroft, J.K.'
'Simon, A.'
_publ_section_title
;
 Ln Hal2 Hn - Neue Phasen in den ternaeren Systemen Ln/Hal/H. I.
 Strukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              29
_journal_page_last               33
_journal_volume                  607
_journal_year                    1992
_chemical_formula_sum            'Br1.94 Ce H'
_chemical_name_systematic        'Ce Br2 H0.87'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.06
_cell_length_b                   4.06
_cell_length_c                   20.973
_cell_volume                     299.394
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Michaelis_ZAACAB_1992_87.cif
_cod_data_source_block           Br1.94Ce1H1
_cod_original_cell_volume        299.3941
_cod_original_formula_sum        'Br1.94 Ce1 H1'
_cod_database_code               1535328
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+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ce3 Ce+2 0 0 -0.018 0.095 0.0
Ce1 Ce+2 0 0 0 0.81 0.0
Br1 Br-1 0 0 0.241 0.97 0.0
Ce2 Ce+2 0 0 0.018 0.095 0.0
Br2 Br-1 0 0 0.4244 0.97 0.0
H1 H-1 0 0 0.6667 1 0.0
