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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/57/1535745.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_1535745
loop_
_publ_author_name
'Murashova, E.V.'
'Chudinova, N.N.'
_publ_section_title
;
 The crystal structure of vanadyl polyphosphate V O (P O3)2
;
_journal_name_full               Kristallografiya
_journal_page_first              145
_journal_page_last               146
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'O7 P2 V'
_chemical_name_systematic        '(V O) (P O3)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.54
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.14
_cell_length_b                   4.195
_cell_length_c                   9.573
_cell_volume                     488.495
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Murashova_KRISAJ_1994_1394.cif
_cod_data_source_block           O7P2V1
_cod_original_formula_sum        'O7 P2 V1'
_cod_database_code               1535745
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
P1 P+5 0.3287 0.0035 0.8468 1 0.0
O2 O-2 0.2374 0.25 0.8068 1 0.0
O1 O-2 0.4099 0.166 0.8329 1 0.0
O3 O-2 0.3671 -0.15 0.0129 1 0.0
O4 O-2 0 -0.139 0.25 1 0.0
V1 V+4 0 0.2509 0.25 1 0.0
