data_global _amcsd_formula_title 'K2Mo3AlP8O28' loop_ _publ_author_name 'Leclaire A' 'Borel M M' 'Grandin A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1368 _journal_page_last 1370 _publ_section_title ; K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7 ; _database_code_amcsd 0010163 _chemical_formula_sum 'Mo1.5 Al.5 K P4 O14' _cell_length_a 4.8171 _cell_length_b 7.133 _cell_length_c 7.998 _cell_angle_alpha 90.53 _cell_angle_beta 92.95 _cell_angle_gamma 105.18 _cell_volume 264.800 _exptl_crystal_density_diffrn 3.414 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Mo1 0.00000 0.00000 0.00000 1.00000 0.01229 Mo 0.50000 0.50000 0.50000 0.50000 0.00823 Al 0.50000 0.50000 0.50000 0.50000 0.00823 K 0.00000 0.00000 0.50000 1.00000 0.04179 P1 -0.37950 0.24170 0.19530 1.00000 0.00823 P2 0.01610 -0.38160 0.25320 1.00000 0.00823 O1 -0.19000 0.10200 0.18600 1.00000 0.01013 O2 0.09400 -0.20100 0.15300 1.00000 0.01520 O3 0.36800 0.19200 0.07100 1.00000 0.01140 O4 0.15500 0.35100 0.59700 1.00000 0.01267 O5 0.27800 0.55000 0.30500 1.00000 0.01140 O6 0.54400 0.26000 0.37500 1.00000 0.01267 O7 -0.19700 0.45000 0.13800 1.00000 0.00887