#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536316.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_1536316
loop_
_publ_author_name
'Weil, M.'
'Werner, F.'
_publ_section_title
;
 The thermal dehydration of magnesium aluminum pentafluoride dihydrate:
 crystal structures of Mg Al F5 (H2 O) and Mg Al F5
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              769
_journal_page_last               777
_journal_volume                  132
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al F5 H4 Mg O2'
_chemical_name_mineral           Leonardsenite
_chemical_name_systematic        'Mg Al F5 (H2 O)2'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0637
_cell_length_b                   10.1308
_cell_length_c                   6.7745
_cell_volume                     484.790
_citation_journal_id_ASTM        MOCMB7
_database_code_amcsd             0020046
_exptl_crystal_density_diffrn    2.498
_cod_data_source_file            Weil_MOCMB7_2001_60.cif
_cod_data_source_block           H4Al1F5Mg1O2
_cod_original_cell_volume        484.7896
_cod_original_formula_sum        'H4 Al1 F5 Mg1 O2'
_cod_database_code               1536316
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z
-x,y+1/2,-z
-x,-y,-z
x,y-1/2,-z
-x,y,z
x,-y-1/2,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y,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
F1 F-1 0.20234 0.1251 0.0703 1 0.0
F2 F-1 0 0.25 0.3256 1 0.0
H1 H+1 -0.094 0.603 0.357 1 0.0
Al1 Al+3 0.25 0.25 0.25 1 0.0
O1 O-2 0 0.58391 0.2815 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020046
