data_global _chemical_name_mineral 'Deloneite' loop_ _publ_author_name 'Rastsvetaeva R F' 'Khomyakov A P' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 349 _journal_year 1996 _journal_page_first 354 _journal_page_last 357 _publ_section_title ; Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite ; _database_code_amcsd 0012491 _chemical_formula_sum 'Na1.999 Ca3.548 Sr2.301 Ce1.299 La.6 Nd.25 P5.799 Si.201 O24.63 F1.41 H.63' _cell_length_a 9.51 _cell_length_b 9.51 _cell_length_c 7.01 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 549.047 _exptl_crystal_density_diffrn 7.851 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-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 Na1 0.33333 0.66667 -0.02060 0.50000 0.02533 Ca1 0.33333 0.66667 -0.02060 0.20000 0.02533 Sr1 0.01580 0.25550 0.24130 0.76700 0.02482 Ce1 0.66667 0.33333 -0.01240 0.15000 0.03014 La1 0.33333 0.66667 -0.02060 0.30000 0.02533 Na2 0.33333 0.66667 0.50020 0.50000 0.02786 Nd1 0.33333 0.66667 0.50020 0.25000 0.02786 Ca2 0.33333 0.66667 0.50020 0.25000 0.02786 Ca3 0.66667 0.33333 -0.01240 0.70000 0.03014 La2 0.66667 0.33333 -0.01240 0.15000 0.03014 Ca4 0.66667 0.33333 0.49050 0.70000 0.02913 La3 0.66667 0.33333 0.49050 0.15000 0.02913 Ce2 0.66667 0.33333 0.49050 0.15000 0.02913 Ca5 0.01580 0.25550 0.24130 0.23300 0.02482 Na3 0.24550 0.23360 0.74220 0.33300 0.02280 Ce3 0.24550 0.23360 0.74220 0.33300 0.02280 Ca6 0.24550 0.23360 0.74220 0.33300 0.02280 P1 0.63390 0.02940 0.23760 1.00000 0.01418 P2 0.02760 0.40340 0.73810 0.93300 0.01811 Si1 0.02760 0.40340 0.73810 0.06700 0.01811 O1 0.12500 0.59100 0.74400 1.00000 0.01393 O2 0.49900 0.16100 0.73100 1.00000 0.03166 O3 0.32600 0.26300 0.07300 1.00000 0.05953 O4 0.32800 0.26200 0.40600 1.00000 0.04686 O5 0.09600 0.35200 0.91100 1.00000 0.01646 O6 0.09500 0.35200 0.56200 1.00000 0.01646 O7 0.15200 0.68100 0.23300 1.00000 0.01520 O8 0.57300 0.45800 0.23900 1.00000 0.03926 F1 0.00000 0.00000 0.24600 1.00000 0.01140 F2 0.00000 0.00000 0.82000 0.41000 0.04053 O-H9 0.00000 0.00000 0.55800 0.32000 0.05066 O-H10 0.00000 0.00000 0.62500 0.31000 0.04559