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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/1/53/08/1530809.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_1530809
loop_
_publ_author_name
'Sorokina, N.I.'
'Vinogradov, E.E.'
'Ilyukhin, V.V.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of Mg (I O3)2 (H2 O)4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              106
_journal_page_last               109
_journal_volume                  247
_journal_year                    1979
_chemical_formula_sum            'H8 I2 Mg O10'
_chemical_name_systematic        'Mg (I O3)2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                100.36
_cell_formula_units_Z            2
_cell_length_a                   8.321
_cell_length_b                   8.501
_cell_length_c                   6.636
_cell_volume                     461.757
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Sorokina_DANKAS_1979_469.cif
_cod_data_source_block           H8I2Mg1O10
_cod_original_cell_volume        461.7569
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H8 I2 Mg1 O10'
_cod_database_code               1530809
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
O5 O-2 0.5572 0.2849 0.4306 1 0.0
Mg1 Mg+2 0.5 0 0 1 0.0
O3 O-2 0.3773 0.5158 0.228 1 0.0
I1 I+5 0.1606 0.464 0.1808 1 0.0
O2 O-2 0.1468 0.2579 0.117 1 0.0
O1 O-2 0.8378 0.4434 0.064 1 0.0
O4 O-2 0.7303 0.607 0.388 1 0.0
