#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526138.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_1526138
loop_
_publ_author_name
'Gopal, R.'
'Calvo, C.'
_publ_section_title
;
 Crystal structure of beta-V P O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              432
_journal_page_last               435
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'O5 P V'
_chemical_name_systematic        'V (P O4) O'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.77
_cell_length_b                   6.143
_cell_length_c                   6.965
_cell_volume                     332.447
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gopal_JSSCBI_1972_1844.cif
_cod_data_source_block           O5P1V1
_cod_original_cell_volume        332.4472
_cod_original_formula_sum        'O5 P1 V1'
_cod_database_code               1526138
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
O4 O-2 0.3594 0.25 0.1442 1 0.0
O2 O-2 0.7235 0.25 0.0091 1 0.0
V1 V+5 0.1735 0.25 0.2307 1 0.0
O1 O-2 0.1228 0.5494 0.2511 1 0.0
P1 P+5 0.8831 0.25 0.8783 1 0.0
O3 O-2 0.0469 0.25 -0.003 1 0.0
