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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/1/52/78/1527898.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_1527898
loop_
_publ_author_name
'Olofsson, O.'
'Gullman, J.'
_publ_section_title
;
 The crystal structure of Tl P5
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1327
_journal_page_last               1337
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'P5 Tl'
_chemical_name_systematic        'Tl P5'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.465
_cell_length_b                   6.9249
_cell_length_c                   12.118
_cell_volume                     542.517
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Olofsson_ACSAA4_1971_1187.cif
_cod_data_source_block           P5Tl1
_cod_original_cell_volume        542.5165
_cod_original_formula_sum        'P5 Tl1'
_cod_database_code               1527898
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,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
P8 P 0.5 0.6452 -0.4562 1 0.0
P4 P 0 0.8286 -0.146 1 0.0
P3 P 0 0.6146 -0.2722 1 0.0
P7 P 0.5 0.612 -0.2818 1 0.0
P6 P 0.5 0.3372 -0.4911 1 0.0
P5 P 0 0.6565 0.0087 1 0.0
Tl1 Tl+1 0 0.2214 0 1 0.0
P2 P 0.251 0.4037 -0.2382 1 0.0
P1 P 0.2511 0.2146 -0.3871 1 0.0
Tl2 Tl+1 0.5 -0.0141 -0.1591 1 0.0
