#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531177.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_1531177
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            'Cs4 D10 Mg3'
_chemical_name_systematic        'Cs4 Mg3 D10'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.239
_cell_length_b                   14.712
_cell_length_c                   13.75
_cell_volume                     1262.087
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bertheville_JALCEU_2002_359.cif
_cod_data_source_block           D10Cs4Mg3
_cod_original_formula_sum        'D10 Cs4 Mg3'
_cod_database_code               1531177
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,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
Cs1 Cs+1 0 0.253 0.397 1 0.0
D1 D-1 0.212 0.104 0.038 1 0.0
D2 D-1 0 0.25 0.15 1 0.0
Mg1 Mg+2 0 0.112 0.157 1 0.0
Cs2 Cs+1 0 0.449 0.138 1 0.0
Mg2 Mg+2 0 0 0 1 0.0
D4 D-1 0.25 0.101 0.25 1 0.0
D3 D-1 0 0.474 0.356 1 0.0
