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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/41/1534176.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_1534176
loop_
_publ_author_name
'Atovmyan, L.O.'
'Aliev, Z.G.'
_publ_section_title
;
 Crystal Structure of a New Mo(IV) Dioxo Complex, Mo O2 Cl2 H2 O
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              732
_journal_page_last               734
_journal_volume                  12
_journal_year                    1971
_chemical_formula_sum            'Cl2 H2 Mo O3'
_chemical_name_systematic        'Mo O2 Cl2 H2 O'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.16
_cell_length_b                   3.94
_cell_length_c                   6.91
_cell_volume                     249.385
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Atovmyan_ZSTKAI_1971_326.cif
_cod_data_source_block           H2Cl2Mo1O3
_cod_original_cell_volume        249.3847
_cod_original_formula_sum        'H2 Cl2 Mo1 O3'
_cod_database_code               1534176
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
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
O3 O-2 0 0.264 -0.237 1 0.0
O2 O-2 0 0.763 0.035 1 0.0
O1 O-2 0 0.266 0.325 1 0.0
Cl1 Cl-1 0.248 0.227 0.055 1 0.0
Mo1 Mo+6 0 0.318 0 1 0.0
