#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:53:37 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149243 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106350.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_2106350 loop_ _publ_author_name 'Johansson, G.B.' 'Lindqvist, O.' _publ_section_title ; The crystal structure of amminecopper(II) tellurate(IV) monohydrate Cu (N H3) Te O3 (H2 O) ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 2418 _journal_page_last 2421 _journal_volume 33 _journal_year 1977 _chemical_formula_sum 'Cu H5 N O4 Te' _chemical_name_systematic 'Cu (N H3) Te O3 (H2 O)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 97.18 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 12.988 _cell_length_b 7.333 _cell_length_c 10.022 _cell_volume 947.020 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Johansson_ACBCAR_1977_586.cif _cod_data_source_block H5Cu1N1O4Te1 _cod_original_cell_volume 947.0205 _cod_chemical_formula_sum_orig 'H5 Cu1 N1 O4 Te1' _cod_database_code 2106350 loop_ _symmetry_equiv_pos_as_xyz 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 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 O3 O-2 0.2298 -0.0636 0.0977 1 0.0 Cu1 Cu+2 0.3332 0.0941 0.0302 1 0.0 O2 O-2 0.3604 -0.0872 -0.1036 1 0.0 O5 O-2 0.5 0.474 0.25 1 0.0 O4 O-2 0.5 0.0454 0.75 1 0.0 Te1 Te+4 0.24441 0.21261 0.3134 1 0.0 O1 O-2 0.3044 0.2823 0.1594 1 0.0 N1 N-3 0.4396 0.266 -0.0244 1 0.0