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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/1/53/05/1530570.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_1530570
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 Dimorphism of hydrothermal synthesized copper tellurite Cu Te O3: The
 structure of a monoclinic representative
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               295
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'Cu O3 Te'
_chemical_name_systematic        'Cu Te O3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.214
_cell_length_b                   9.108
_cell_length_c                   5.965
_cell_volume                     282.169
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pertlik_JSSCBI_1987_1533.cif
_cod_data_source_block           Cu1O3Te1
_cod_original_cell_volume        282.1686
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cu1 O3 Te1'
_cod_database_code               1530570
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Te1 Te+4 0.7576 0.2025 0.5995 1 0.0
O3 O-2 -0.0092 0.1396 0.8482 1 0.0
O2 O-2 0.936 0.137 0.3609 1 0.0
O1 O-2 0.9099 0.3929 0.6096 1 0.0
Cu1 Cu+2 0.7425 0.5187 0.3695 1 0.0
