#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/08/1520851.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_1520851
loop_
_publ_author_name
'Bertheville, B.'
'Fischer, P.'
'Yvon, K.'
_publ_section_title
;
 Synthesis and crystal structures of Cs2 Mg D4 and Cs3 Mg D5
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Cs3 D5 Mg'
_chemical_name_systematic        'Cs3 Mg D5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4022
_cell_length_b                   8.4022
_cell_length_c                   12.6951
_cell_volume                     896.236
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bertheville_JALCEU_2000_1330.cif
_cod_data_source_block           D5Cs3Mg1
_cod_original_cell_volume        896.2355
_cod_original_formula_sum        'D5 Cs3 Mg1'
_cod_database_code               1520851
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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 0.124 0.624 0.1625 1 0.0
Cs2 Cs+1 0 0 0.25 1 0.0
Mg1 Mg+2 0 0.5 0.25 1 0.0
D2 D-1 0 0 0 1 0.0
Cs1 Cs+1 0.6828 0.1828 0 1 0.0
