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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007818.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007818
loop_
_publ_author_name
'Okuda, M.'
'Ishihara, M.'
'Yamanaka, M.'
'Ohba, S.'
'Saito, Y.'
_publ_section_title
;
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (II)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1755
_journal_page_last               1759
_journal_paper_doi               10.1107/S010827019000066X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Mg(ClO2)2.6H2O
_chemical_formula_sum            'Cl2 Mg O10'
_space_group_IT_number           105
_symmetry_space_group_name_Hall  'P 4c -2'
_symmetry_space_group_name_H-M   'P 42 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.471
_cell_length_b                   7.471
_cell_length_c                   9.980
_cell_formula_units_Z            2
_cell_volume                     557.042
_database_code_amcsd             0010180
_exptl_crystal_density_diffrn    1.522
_cod_database_code               9007818
_amcsd_formula_title             Mg(ClO2)2.6H2O
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,1/2+z
-y,x,1/2+z
x,-y,z
-x,-y,z
y,x,1/2+z
y,-x,1/2+z
-x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Cl1 0.00000 0.00000 0.00440 0.05066 0
Cl2 0.50000 0.50000 -0.00330 0.04179 0
Mg 0.00000 0.50000 0.25380 0.03546 0
O1 0.17150 0.00000 0.09110 0.03673 0
O2 0.32600 0.50000 -0.09960 0.04559 0
O3 0.00000 0.50000 0.04130 0.05699 2
O4 0.00000 0.50000 0.45030 0.06459 2
O5 0.19300 0.29780 0.24540 0.06586 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010180
