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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/1/52/90/1529033.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_1529033
loop_
_publ_author_name
'Yang, Z.'
'Liu, G.'
'Wong-Ng, W.'
'Kaduk, J.A.'
'Jang, M.'
_publ_section_title
;
 Phase equilibria and crystal chemistry of the R-Cu-Ti-O systems (R =
 lanthanides and Y)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1142
_journal_page_last               1148
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Cu O6 Sm2 Ti'
_chemical_name_systematic        'Sm2 (Ti Cu) O6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.74812
_cell_length_b                   7.56025
_cell_length_c                   5.41621
_cell_volume                     235.373
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yang_JSSCBI_2009_1723.cif
_cod_data_source_block           Cu1O6Sm2Ti1
_cod_original_cell_volume        235.3734
_cod_original_formula_sum        'Cu1 O6 Sm2 Ti1'
_cod_database_code               1529033
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Cu1 Cu+2 0 0 0 0.5 0.0
Sm1 Sm+3 0.5654 0.25 0.0166 1 0.0
O2 O-2 0.976 0.25 0.884 1 0.0
O1 O-2 0.278 0.0451 0.201 1 0.0
Ti1 Ti+4 0 0 0 0.5 0.0
