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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/1/53/04/1530481.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_1530481
loop_
_publ_author_name
'Nelmes, R.J.'
'Choudhary, R.N.P.'
_publ_section_title
;
 Structural studies of the monoclinic dihydrogen phosphates. II. A
 neutron-diffraction study of the Tl H2 P O4
;
_journal_name_full               'Solid State Communications'
_journal_page_first              321
_journal_page_last               324
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'H2 O4 P Tl'
_chemical_name_systematic        'Tl (H2 P O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.308
_cell_length_b                   4.518
_cell_length_c                   6.516
_cell_volume                     421.019
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Nelmes_SSCOA4_1981_696.cif
_cod_data_source_block           H2O4P1Tl1
_cod_original_cell_volume        421.0186
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H2 O4 P1 Tl1'
_cod_database_code               1530481
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
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
O4 O-2 0.1816 0.2715 0.6671 1 0.0
P1 P+5 0.1244 0.5214 0.7595 1 0.0
O2 O-2 0.0533 0.6571 0.606 1 0.0
Tl1 Tl+1 0.1279 -0.0019 0.2578 1 0.0
H3 H+1 0.1849 0.0006 0.7577 1 0.0
H2 H+1 0 0.5 0.5 1 0.0
O3 O-2 0.1908 0.7696 0.8293 1 0.0
O1 O-2 0.0736 0.3956 0.9472 1 0.0
H1 H+1 0 0.5 0 1 0.0
