#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009988.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9009988 _chemical_name 'Balipholite' loop_ _publ_author_name 'Peng Z' 'Ma Z' 'Han S' _journal_name_full "Scientia Sinica" _journal_volume B30 _journal_year 1987 _journal_page_first 779 _journal_page_last 784 _publ_section_title ; The refinement of crystal structure of balipholite Locality: Hunan Province, China ; _chemical_formula_sum 'Ba Mg2 Li Al3 Si4 O16 H4 F4' _cell_length_a 13.587 _cell_length_b 20.164 _cell_length_c 5.144 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1409.293 _symmetry_space_group_name_H-M 'C c c a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,1/2+y,1/2+z' '1/2-x,+y,1/2+z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,-z' '-x,1/2-y,z' '1/2-x,-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 _atom_site_occupancy _atom_site_Uiso_or_equiv Ba 0.00000 0.75000 0.25000 1.00000 ? Mg 0.00000 0.53860 0.25000 1.00000 ? Li 0.00000 0.11540 0.25000 0.50000 ? Al 0.00000 0.11540 0.25000 0.50000 ? Al 0.19250 0.25000 0.25000 1.00000 ? Si 0.19240 0.62040 0.08380 1.00000 ? O2 0.20350 0.69980 0.07220 1.00000 ? O3 0.25360 0.91110 0.17360 1.00000 ? O4 0.07850 0.60270 0.09750 1.00000 ? O5 0.06950 0.46800 0.06790 1.00000 ? H 0.12200 0.46800 0.09400 1.00000 -0.00148 F 0.09720 0.30750 0.13290 1.00000 ?