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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/1/53/11/1531173.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_1531173
loop_
_publ_author_name
'Bertheville, B.'
'Fischer, P.'
'Yvon, K.'
_publ_section_title
;
 High-pressure synthesis and crystal structures of new ternary cesium
 magnesium hydrides, Cs Mg H3, Cs4 Mg3 H10 and Cs2 Mg H4
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              152
_journal_page_last               156
_journal_volume                  330
_journal_year                    2002
_chemical_formula_sum            'Cs D3 Mg'
_chemical_name_systematic        'Cs Mg D3'
_space_group_IT_number           166
_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            9
_cell_length_a                   6.2337
_cell_length_b                   6.2337
_cell_length_c                   22.307
_cell_volume                     750.695
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bertheville_JALCEU_2002_358.cif
_cod_data_source_block           D3Cs1Mg1
_cod_original_cell_volume        750.6951
_cod_original_formula_sum        'D3 Cs1 Mg1'
_cod_database_code               1531173
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,-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+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
-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
D1 D-1 0.138 0.276 0.5596 1 0.0
D2 D-1 0.5 0 0 1 0.0
Cs2 Cs+1 0 0 0 1 0.0
Cs1 Cs+1 0 0 0.2111 1 0.0
Mg2 Mg+2 0 0 0.5 1 0.0
Mg1 Mg+2 0 0 0.376 1 0.0
