#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/14/2101405.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_2101405 loop_ _publ_author_name 'Lou\"er, M.' 'Brochu, R.' 'Lou\"er, D.' 'Arsalane, S.' 'Ziyad, M.' _publ_section_title ; Structure determination of CuTh~2~(PO~4~)~3~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 908 _journal_page_last 913 _journal_paper_doi 10.1107/S0108768195001637 _journal_volume 51 _journal_year 1995 _chemical_formula_sum 'Cu O12 P3 Th2' _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.0 _cell_angle_beta 108.6 _cell_angle_gamma 90.0 _cell_formula_units_Z 4 _cell_length_a 22.03(3) _cell_length_b 6.742(3) _cell_length_c 7.019(6) _cell_volume 988.1(16) _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54184 _cod_data_source_file ha0136.cif _cod_data_source_block ha0136a _cod_original_cell_volume 988 _cod_original_formula_sum 'Cu1 O12 P3 Th2' _cod_database_code 2101405 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Th .36040(10) .3578(4) .8552(5) Cu .0 .5 .5 P1 .1815(2) .3222(9) .6830(10) P2 .5 .359(2) .25 O1 .1446(3) .5139(7) .6701(9) O2 .1540(3) .1820(10) .4983(9) O3 .2517(2) .3605(8) .7239(9) O4 .1722(3) .1930(10) .8573(9) O5 .4669(3) .2300(10) .0632(9) O6 .4444(4) .4860(10) .2650(10)