#------------------------------------------------------------------------------
#$Date: 2015-10-09 17:28:58 +0200 (Fri 09 de Oct de 2015) $
#$Revision: 162409 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535182.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_1535182
loop_
_publ_author_name
'Berastegui, P.'
'Eriksson, S.'
'Hull, S.'
'Eriksen, J.'
'Garcia Garcia, F.J.'
_publ_section_title
;
 Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2
 O(3+n) (M = Ca, Sr)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              433
_journal_page_last               441
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ca2 O5 Tl2'
_chemical_name_systematic        'Ca2 Tl2 O5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.34554
_cell_length_b                   11.16684
_cell_length_c                   13.49639
_cell_volume                     504.213
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Berastegui_SSSCFJ_2004_1504.cif
_cod_data_source_block           Ca2O5Tl2
_cod_original_cell_volume        504.2131
_cod_database_code               1535182
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
Ca1 Ca+2 0 0.77255 0.3869 0.5 0.0
O3 O-2 0 0.6726 0.25 1 0.0
Tl2 Tl+3 0 0.5 0.5 1 0.0
Tl1 Tl+3 0 0.77255 0.3869 0.5 0.0
O1 O-2 0 0.14201 0.04435 1 0.0
Ca2 Ca+2 0 0.02978 0.25 1 0.0
O2 O-2 0 0.41793 0.14355 1 0.0
