#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/18/2001838.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_2001838 loop_ _publ_author_name 'Boughzala, H.' 'Driss, A.' 'Jouini, T.' _publ_section_title ; Structure de RbAlAs~2~O~7~ ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 425 _journal_page_last 427 _journal_paper_doi 10.1107/S0108270192006772 _journal_volume 49 _journal_year 1993 _chemical_formula_sum 'Al As2 O7 Rb' _chemical_formula_weight 374.29 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _cell_angle_alpha 102.60(10) _cell_angle_beta 103.89(7) _cell_angle_gamma 96.70(10) _cell_formula_units_Z 2 _cell_length_a 8.233(5) _cell_length_b 6.34(2) _cell_length_c 6.241(5) _cell_volume 303.7(10) _diffrn_radiation_type Ag _diffrn_radiation_wavelength 0.5608 _exptl_absorpt_coefficient_mu 5.385 _exptl_crystal_density_diffrn 4.09 _exptl_crystal_density_meas 3.9(3) _exptl_crystal_F_000 344 _cod_data_source_file du0330.cif _cod_data_source_block du0330_structure_1_of_1 _cod_depositor_comments ; Updating space group information and adding the symmetry operation list. Antanas Vaitkus, 2018-06-14 ; _cod_original_cell_volume 303.9 _cod_original_formula_sum 'Al1 As2 O7 Rb1' _cod_database_code 2001838 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As(1) .3360(10) .24280(10) .49090(10) As(2) .18680(10) .52750(10) .82320(10) Al .2286(3) .6860(3) .3757(4) Rb(1) .0 .0 .0 Rb(2) .5 .0 .0 O(1) .2295(7) -.0110(8) .4230(9) O(2) .5333(7) .2556(9) .4696(9) O(3) .2225(7) .3780(8) .3250(9) O(4) .3391(7) .3620(9) .7739(9) O(5) .0085(7) .3544(8) .7757(9) O(6) .1873(7) .7077(9) .6665(10) O(7) .2721(7) .6766(8) 1.0896(8) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance As(1) O(1) 1.652(5) As(1) O(2) 1.653(5) As(1) O(3) 1.674(5) As(1) O(4) 1.756(6) As(2) O(5) 1.649(5) As(2) O(6) 1.658(5) As(2) O(7) 1.661(6) As(2) O(4) 1.766(5) Al O(3) 1.901(6) Al O(6) 1.906(6)