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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/2/10/65/2106504.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106504
loop_
_publ_author_name
'Falck, L.'
'Lindqvist, O.'
'Mark, W.'
_publ_section_title
;
 The crystal structure of Cu Te O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1450
_journal_page_last               1453
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cu O4 Te'
_chemical_name_systematic        'Cu Te O4'
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5
_cell_length_b                   10.327
_cell_length_c                   4.704
_cell_volume                     267.180
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Falck_ACBCAR_1978_250.cif
_cod_data_source_block           Cu1O4Te1
_cod_original_cell_volume        267.1801
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cu1 O4 Te1'
_cod_database_code               2106504
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
Cu2 Cu+2 0.5 0 0.5 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O4 O-2 0.271 0.088 -0.164 1 0.0
O2 O-2 0.535 0.173 0.267 1 0.0
Te1 Te+6 0.2963 0.2489 0.0166 1 0.0
O1 O-2 0.537 0.32 0.768 1 0.0
O3 O-2 0.271 0.416 0.187 1 0.0
