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#$Date: 2025-08-18 18:14:33 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/06/1530631.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_1530631
loop_
_publ_author_name
'Rafiq, M.'
'Durand, J.'
'Cot, L.'
_publ_section_title
;
 Sur quelques phosphites doubles de cations monovalents de la serie Li M P
 O3 H, (H2 O)x. Etude structurale de Li Tl P O3 H
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              1
_journal_page_last               18
_journal_volume                  18
_journal_year                    1981
_chemical_formula_sum            'H Li O3 P Tl'
_chemical_name_systematic        'Li Tl P O3 H'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.284
_cell_length_b                   5.091
_cell_length_c                   5.329
_cell_volume                     387.485
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Rafiq_RVCMA8_1981_705.cif
_cod_data_source_block           H1Li1O3P1Tl1
_cod_original_cell_volume        387.4854
_cod_original_formula_sum        'H1 Li1 O3 P1 Tl1'
_cod_database_code               1530631
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,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
H1 H+1 0.452 0.024 0.248 1 0.0
O3 O-2 0.359 0.329 0.278 1 0.0
Li1 Li+1 0.754 0.049 0.191 1 0.0
P1 P+3 0.3582 0.041 0.302 1 0.0
O2 O-2 0.353 -0.007 0.577 1 0.0
Tl1 Tl+1 0.09144 0 0.2501 1 0.0
O1 O-2 0.284 -0.086 0.138 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046579
