data_global _amcsd_formula_title 'Cs1.062 O16 Ti8' loop_ _publ_author_name 'Fanchon E' 'Hodeau J' 'Vicat J' 'Watts J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 92 _journal_year 1991 _journal_page_first 88 _journal_page_last 100 _publ_section_title ; Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of the mixed valence CsTi8O16 hollandite: structuresat 297 and 673K _cod_database_code 1008513 ; _database_code_amcsd 0016406 _chemical_formula_sum 'Cs.53 Ti4 O8' _cell_length_a 14.524 _cell_length_b 14.524 _cell_length_c 5.936 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1252.179 _exptl_crystal_density_diffrn 4.138 _symmetry_space_group_name_H-M 'I 41/a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2+y,1/2-x,1/2-z' '+y,-x,-z' '-y,1/2+x,1/4+z' '1/2-y,+x,3/4+z' '1/2+x,y,3/4-z' '+x,1/2+y,1/4-z' '1/2-x,1/2-y,1/2+z' '-x,-y,+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,-x,3/4+z' '+y,1/2-x,1/4+z' '-x,1/2-y,1/4-z' '1/2-x,-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs1 0.00000 0.00000 0.00000 0.50900 Cs2 0.00000 0.00000 0.50000 0.14800 Cs3 0.00000 0.00000 0.05900 0.10100 Cs4 0.00000 0.00000 0.55800 0.10100 Ti1 0.25813 0.40887 0.99632 1.00000 Ti2 0.24368 0.09203 0.99582 1.00000 O1 0.18340 0.52570 -0.00480 1.00000 O2 0.35170 0.31340 0.00410 1.00000 O3 0.31680 -0.02530 -0.00420 1.00000 O4 0.14790 0.18570 0.00250 1.00000