data_1522587
_publ_section_title
;
 Crystal structure of and electron spin resonance of Mn2+ in Mg V2 O6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              3619
_journal_page_last               3624
_journal_volume                  50
_journal_year                    1972
_chemical_formula_sum            'Mg O6 V2'
_chemical_name_systematic        'Mg V2 O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.279
_cell_length_b                   3.502
_cell_length_c                   6.731
_cell_volume                     203.125
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Ng_CJCHAG_1972_305.cif
_cod_data_source_block           Mg1O6V2
_cod_original_cell_volume        203.1249
_cod_chemical_formula_sum_orig   'Mg1 O6 V2'
_cod_database_code               1522587
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
V1 V+5 0.30514 0.5 0.3436 1 0.0
O2 O-2 0.4607 0.5 0.2764 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
O3 O-2 0.193 0.5 0.5652 1 0.0
O1 O-2 0.1517 0.5 0.1133 1 0.0
