#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/14/2101437.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_2101437 loop_ _publ_author_name 'Gladyshevskii, R. E.' 'Fl\"ukiger, R.' _publ_section_title ; Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{\d~}, a high-T~c~ superconductor with monoclinic symmetry ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 38 _journal_page_last 53 _journal_paper_doi 10.1107/S0108768195007075 _journal_volume 52 _journal_year 1996 _chemical_formula_sum 'Bi2 Ca Cu2 O8 Sr2' _chemical_formula_weight 902 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'C 2 -c' _symmetry_space_group_name_H-M 'C c c 2' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 4 _cell_length_a 5.4112(7) _cell_length_b 30.873(7) _cell_length_c 5.416(2) _cell_volume 904.8(4) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _cod_data_source_file du0400.cif _cod_data_source_block du0400b _cod_original_cell_volume 905 _cod_original_formula_sum 'Bi2 Ca1 Cu2 O8 Sr2' _cod_database_code 2101437 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi1 .2264(3) .0546(2) .455(2) .0307(7) Bi2 .2264(3) .0491(2) .559(3) .0307(7) Sr .2504(7) .1410(2) .994(3) .0450(10) Cu .2488(8) .1968(2) .500(3) .0380(10) Ca .25 .25 .999(4) .037(3) O1 .141(7) .0502(12) .190(3) .073(8) O2 .280(5) .1196(9) .574(3) 0.051(7) O3 .001(8) .1972(7) .246(5) .026(5) O4 .006(7) .2938(5) .249(5) .014(4)