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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/4/34/38/4343825.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_4343825
loop_
_publ_author_name
'Chevalier, B.'
'Krolak, A.A.'
'Weill, F.'
'Bobet, J.L.'
'Gaudin, E.'
'Hermes, W.'
'Poettgen, R.'
_publ_section_title
;
 On the strongly correlated electron hydride Ce2 Ni2 Mg H7.7
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10419
_journal_page_last               10424
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Ce2 H7.7 Mg Ni2'
_chemical_name_systematic        'Ce2 Ni2 Mg H7.7'
_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                 92.75
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.762
_cell_length_b                   7.7687
_cell_length_c                   11.8969
_cell_volume                     1085.833
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Chevalier_INOCAJ_2008_1621.cif
_cod_data_source_block           H7.7Ce2Mg1Ni2
_cod_original_formula_sum        'H7.7 Ce2 Mg1 Ni2'
_cod_database_code               4343825
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
Ce1 Ce 0.8361 0.6622 0.6807 1 0.0
Ni2 Ni 0.3168 0.65 0.4167 1 0.0
Ni1 Ni 0.8473 0.8559 0.4316 1 0.0
Ce2 Ce 0.6032 0.6676 0.4151 1 0.0
Mg1 Mg 0.895 0.506 0.4073 1 0.0
Mg2 Mg 0.624 0.537 0.123 1 0.0
Ce4 Ce 0.6621 0.3232 0.8432 1 0.0
Ce3 Ce 0.899 0.1576 0.6125 1 0.0
Ni3 Ni 0.0542 0.643 0.1532 1 0.0
Ni4 Ni 0.5707 0.875 0.1793 1 0.0
