Hello, I want to read the following file .cif. Apparently Avogadro has problems to read "_symmetry_space_group_name_H-M 'C -1'". I do not know how to fix the problem. Could you help me?
Thanks, best regards, Fabienne. data_global _chemical_name_mineral 'Pyrophyllite' loop_ _publ_author_name 'Wardle R' 'Brindley G W' _journal_name_full 'American Mineralogist' _journal_volume 57 _journal_year 1972 _journal_page_first 732 _journal_page_last 750 _publ_section_title ; The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate ; _database_code_amcsd 0000285 _chemical_formula_sum 'Al Si2 O6 H' _cell_length_a 5.1614 _cell_length_b 8.9576 _cell_length_c 9.3511 _cell_angle_alpha 91.03 _cell_angle_beta 100.37 _cell_angle_gamma 89.75 _cell_volume 425.206 _exptl_crystal_density_diffrn 2.814 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.50000 0.16700 0.00000 Si1 0.74800 0.00000 0.28900 Si2 0.75900 0.33100 0.28900 O1 0.67100 0.00400 0.11300 O2 0.72100 0.31900 0.11300 O-H 0.22100 0.18600 0.11300 Ob1 0.05500 0.38700 0.35300 Ob2 0.72400 0.16700 0.35300 Ob3 0.55000 0.44800 0.33600 ----- Pièces jointes https://webmail.irsamc.ups-tlse.fr/imp/attachment.php?u=bessac&t=1330969048&f=AMS_DATA.cif ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
