#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527385.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_1527385
loop_
_publ_author_name
'Furberg, S.'
'Landmark, P.'
_publ_section_title
;
 The crystal structure of phosphorous acid
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1505
_journal_page_last               1511
_journal_volume                  11
_journal_year                    1957
_chemical_formula_sum            'H3 O3 P'
_chemical_name_systematic        'H3 P O3'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.27
_cell_length_b                   12.06
_cell_length_c                   6.85
_cell_volume                     600.582
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Furberg_ACSAA4_1957_1725.cif
_cod_data_source_block           H3O3P1
_cod_original_formula_sum        'H3 O3 P1'
_cod_database_code               1527385
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
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
O5 O-2 0.075 0.369 0.241 1 0.0
O3 O-2 0.94 0.004 0.985 1 0.0
P1 P+3 0.002 0.1265 0.003 1 0.0
O2 O-2 0.91 0.209 0.874 1 0.0
P2 P+3 0.046 0.378 0.461 1 0.0
O6 O-2 0.909 0.459 0.518 1 0.0
O4 O-2 0.994 0.259 0.518 1 0.0
O1 O-2 0.208 0.116 0.951 1 0.0
