data_1530205
_publ_section_title
;
 Crystal structure of beta-V O (P O3)2
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              2164
_journal_page_last               2167
_journal_volume                  15
_journal_year                    1979
_chemical_formula_sum            'O7 P2 V'
_chemical_name_systematic        'V O (P O3)2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.99
_cell_length_b                   10.99
_cell_length_c                   4.258
_cell_volume                     514.282
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Krasnikov_IVNMAW_1979_578.cif
_cod_data_source_block           O7P2V1
_cod_original_cell_volume        514.2816
_cod_chemical_formula_sum_orig   'O7 P2 V1'
_cod_database_code               1530205
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
P1 P+5 0.1659 0.25 0.125 1 0.0
O3 O-2 0.0909 0.1489 -0.0206 1 0.0
V1 V+4 0 0 0 1 0.0
O2 O-2 0.6867 0.25 0.125 1 0.0
O1 O-2 0 0 0.5 1 0.0
