#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2101343.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101343
loop_
_publ_author_name
'Souhassou, M.'
'Espinosa, E.'
'Lecomte, C.'
'Blessing, R. H.'
_publ_section_title
;
 Experimental electron density in crystalline H~3~PO~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              661
_journal_page_last               668
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'H3 O4 P'
_[local]_cod_chemical_formula_sum_orig 'H3 O4 P1'
_chemical_formula_weight         98
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.274(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7572(13)
_cell_length_b                   4.8310(17)
_cell_length_c                   11.574(2)
_cell_volume                     320.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.660
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_F_000             200
_[local]_cod_data_source_file    cr0476.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H2 .47077 .61234 .17676
H3 -.13037 .46585 .16958
H4 .26630 -.05955 .04327
O1 .28348(6) .16461(8) .25344(5)
O2 .32284(10) .58886(10) .12898(4)
O3 -.05713(9) .34091(10) .11918(5)
O4 .27548(7) .13198(13) .03367(5)
P .209186(13) .300444(16) .140186(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
P O1 1.493
P O2 1.550
P O3 1.543
P O4 1.554
O2 H2 0.982
O3 H3 0.963
O4 H4 0.933
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O1 P O2 112.1
O1 P O3 113.1
O1 P O4 113.3
O2 P O3 107.2
O2 P O4 105.7
O3 P O4 104.7
P O2 H2 114.2
P O3 H3 118.0
P O4 H4 113.7