data_global _amcsd_formula_title 'Na18Ca13Mg5(PO4)18' loop_ _publ_author_name 'Alkemper J' 'Fuess H' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 213 _journal_year 1998 _journal_page_first 282 _journal_page_last 287 _publ_section_title ; The crystal structures of NaMgPO4, Na2CaMg(PO4)2 and Na18Ca13Mg5(PO4)18: new examples for glaserite related structures ; _database_code_amcsd 0011080 _chemical_formula_sum 'Ca13 Na18 Mg5 P18 O72' _cell_length_a 15.811 _cell_length_b 15.811 _cell_length_c 21.499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 4654.441 _exptl_crystal_density_diffrn 2.960 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.00000 0.00000 0.00000 1.00000 Ca2 0.30910 0.00000 0.00000 1.00000 Na3 0.31920 0.00000 0.50000 0.75000 Ca3 0.31920 0.00000 0.50000 0.25000 Na4 0.21570 -0.21570 0.26540 0.40000 Ca4 0.21570 -0.21570 0.26540 0.60000 Na5 0.10730 -0.10730 0.10520 1.00000 Na6 0.21630 -0.21630 -0.11930 0.85000 Ca6 0.22110 -0.22110 -0.04620 0.15000 Mgl 0.00000 0.00000 0.36050 1.00000 Mg2 0.00000 0.00000 0.50000 1.00000 Mg3 0.00000 0.00000 0.16090 1.00000 P1 0.22170 -0.22170 0.09910 1.00000 O1 0.27790 -0.27790 0.10190 1.00000 O2 0.19830 -0.19830 0.16400 1.00000 O3 0.28770 0.41170 0.06670 1.00000 P2 0.11100 -0.11100 -0.07240 1.00000 O4 0.12050 -0.12050 0.00260 1.00000 O5 0.05640 -0.05640 -0.08620 1.00000 O6 0.26820 0.21380 0.10020 1.00000 P3 0.43290 -0.43290 -0.07090 1.00000 O7 0.39720 -0.39720 -0.01570 1.00000 O8 0.40340 -0.40340 -0.13010 1.00000 O9A 0.58490 0.53080 0.04740 0.30000 O9B 0.62240 0.54500 0.07600 0.70000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca1 0.06300 0.06300 0.00700 0.03200 0.00000 0.00000 Ca2 0.01900 0.02300 0.01700 0.01200 0.00400 0.00900 Na3 0.01900 0.02700 0.02100 0.01400 0.00700 0.01500 Ca3 0.01900 0.02700 0.02100 0.01400 0.00700 0.01500 Na4 0.01900 0.01900 0.01400 0.00400 -0.00200 0.00200 Ca4 0.01900 0.01900 0.01400 0.00400 -0.00200 0.00200 Na5 0.02700 0.02700 0.02000 0.01400 0.00200 -0.00200 Na6 0.04300 0.04300 0.05600 0.02700 0.00300 -0.00300 Ca6 0.03200 0.03200 0.07000 0.01600 -0.00200 0.00200 Mgl 0.01200 0.01200 0.01200 0.00600 0.00000 0.00000 Mg2 0.01000 0.01000 0.00800 0.00500 0.00000 0.00000 Mg3 0.01100 0.01100 0.01500 0.00600 0.00000 0.00000 P1 0.00900 0.00900 0.01300 0.00600 0.00000 0.00000 O1 0.02300 0.02300 0.01500 0.01900 -0.00100 0.00100 O2 0.02900 0.02900 0.02100 0.01800 0.00500 -0.00500 O3 0.02200 0.02100 0.02900 0.01500 0.00200 -0.00500 P2 0.01200 0.01200 0.01700 0.00500 0.00200 -0.00200 O4 0.03400 0.03400 0.01900 0.01300 -0.00400 0.00400 O5 0.02500 0.02500 0.03600 0.01600 -0.00300 0.00300 O6 0.03900 0.01600 0.03700 0.01100 -0.01600 -0.01000 P3 0.01400 0.01400 0.01200 0.00600 0.00100 -0.00100 O7 0.04000 0.04000 0.01800 0.03100 0.00300 -0.00300 O8 0.16500 0.16500 0.01500 0.13300 -0.00100 0.00100 O9A 0.07600 0.01800 0.02600 0.02100 0.02700 0.00500 O9B 0.05000 0.01500 0.04400 0.01400 0.02400 0.00100