data_1527307
_publ_section_title
;
 Crystal and molecular structure of molybdenum(V) oxide trichloride
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              22
_journal_page_last               25
_journal_volume                  1970
_journal_year                    1970
_chemical_formula_sum            'Cl3 Mo O'
_chemical_name_systematic        'Mo O Cl3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.79
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.732
_cell_length_b                   13.34
_cell_length_c                   6.029
_cell_volume                     459.999
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Drew_JCSIAP_1970_1870.cif
_cod_data_source_block           Cl3Mo1O1
_cod_original_cell_volume        459.9985
_cod_chemical_formula_sum_orig   'Cl3 Mo1 O1'
_cod_database_code               1527307
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
Cl1 Cl-1 -0.2977 0.0631 0.3575 1 0.0
Cl2 Cl-1 0.1784 0.1921 0.5585 1 0.0
Cl3 Cl-1 -0.2767 0.3156 0.3881 1 0.0
Mo1 Mo+5 -0.026 0.1608 0.2019 1 0.0
O1 O-2 0.1544 0.0808 0.1022 1 0.0
