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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/2/10/74/2107412.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_2107412
loop_
_publ_author_name
'Oddon, Y.'
'Tranquard, A.'
'Vignalou, J.R.'
'Pepe, G.'
_publ_section_title
;
 Structure d'Hydrogenoorthophosphates de Thallium(I). Structure du
 Pentahydrogenoorthophosphate de Thallium(I) Tl H5 (P O4)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3510
_journal_page_last               3514
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H5 O8 P2 Tl'
_chemical_name_systematic        'Tl H5 (P O4)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                 100.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.307
_cell_length_b                   7.748
_cell_length_c                   9.609
_cell_volume                     753.770
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Oddon_ACBCAR_1978_1735.cif
_cod_data_source_block           H5O8P2Tl1
_cod_original_cell_volume        753.7696
_cod_original_formula_sum        'H5 O8 P2 Tl1'
_cod_database_code               2107412
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
O2 O-2 0.3461 0.0852 0.9238 1 0.0
H1 H+1 0.3333 -0.039 0.517 1 0.0
P1 P+5 0.3165 0.0562 0.3063 1 0.0
O3 O-2 0.1815 0.1368 0.3216 1 0.0
O1 O-2 0.3088 0.0369 0.6681 1 0.0
H3 H+1 0.5 0.2 0.25 1 0.0
H2 H+1 0.185 0.266 0.326 1 0.0
O4 O-2 0.4198 0.1996 0.328 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
