data_global _chemical_name_mineral 'Clinophosinaite' loop_ _publ_author_name 'Krutik V M' 'Pushcharovsky D Y' 'Khomyakov A P' 'Pobedimskaya E A' 'Belov N V' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 25 _journal_year 1980 _journal_page_first 138 _journal_page_last 142 _publ_section_title ; Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra) in the structure of monoclinic fosinaite ; _database_code_amcsd 0015582 _chemical_compound_source 'Khibiny pegmatites, Kola Peninsula, Russia' _chemical_formula_sum 'Na6 Ca2 Si2 P2 O14' _cell_length_a 7.303 _cell_length_b 12.201 _cell_length_c 14.715 _cell_angle_alpha 90 _cell_angle_beta 91.93 _cell_angle_gamma 90 _cell_volume 1310.420 _exptl_crystal_density_diffrn 2.840 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-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 Na1 0.00000 0.46220 0.25000 1.00000 0.02546 Na2 0.00000 0.17090 0.25000 1.00000 0.03242 Na3 0.50000 0.12510 0.75000 1.00000 0.05281 Na4 0.50000 0.16410 0.25000 1.00000 0.04028 Na5 0.50000 0.45450 0.25000 1.00000 0.02330 Na6 0.50000 0.50000 0.00000 1.00000 0.00912 Na7 0.48410 0.17600 -0.00550 1.00000 0.03420 Na8 0.25520 0.33780 0.39070 1.00000 0.01216 Na9 0.26720 0.00410 0.11650 1.00000 0.04420 Ca1 0.00000 0.50000 0.00000 1.00000 0.00621 Ca2 0.00000 0.14340 0.75000 1.00000 0.01849 Ca3 0.00020 0.19090 0.51470 1.00000 0.01545 Si1 0.30050 0.31570 0.63910 1.00000 0.00671 Si2 0.26580 0.35780 0.84050 1.00000 0.00595 P1 0.25430 0.30660 0.13400 1.00000 0.00785 P2 0.24310 0.02810 0.37970 1.00000 0.01102 O1 0.24960 0.18780 0.64990 1.00000 0.01722 O2 0.21440 0.36810 0.54770 1.00000 0.02064 O3 0.47590 0.32030 0.86510 1.00000 0.03698 O4 0.25380 0.38790 0.72980 1.00000 0.01862 O5 0.21830 0.46890 0.89000 1.00000 0.01722 O6 0.14270 0.25260 0.85930 1.00000 0.02774 O7 0.25860 0.18580 0.10430 1.00000 0.02634 O8 0.25090 0.31550 0.23790 1.00000 0.02052 O9 0.07430 0.35450 0.09250 1.00000 0.01608 O10 0.42230 0.36440 0.09990 1.00000 0.01532 O11 0.23480 0.15010 0.40820 1.00000 0.02368 O12 0.07420 0.02630 0.91470 0.50000 0.04901 O13 0.20800 0.01510 0.27960 0.50000 0.04851 O14 0.42260 0.02060 0.90880 0.50000 0.04673 O15 0.38540 0.01850 0.30280 0.50000 0.01102 O16 0.26150 0.05170 0.95650 0.50000 0.04040 O17 0.06680 0.01210 0.31490 0.50000 0.03876 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 Na1 0.02178 0.02036 0.03430 0.00000 -0.00060 0.00000 Na2 0.04178 0.01538 0.04229 0.00000 0.00707 0.00000 Na3 0.08904 0.01176 0.10333 0.00000 -0.07950 0.00000 Na4 0.07535 0.01893 0.04449 0.00000 -0.03203 0.00000 Na5 0.02432 0.01139 0.02969 0.00000 -0.00772 0.00000 Na6 0.01115 0.00747 0.00679 -0.00253 -0.00402 0.00727 Na7 0.03012 0.04201 0.02904 -0.00997 0.00517 -0.00436 Na8 0.01733 0.01538 0.01030 0.00086 0.00049 0.00073 Na9 0.05166 0.01124 0.08021 -0.00086 -0.00506 0.01036 Ca1 0.00734 0.00845 0.00866 -0.00289 0.00087 0.00200 Ca2 0.03012 0.00747 0.01644 0.00000 0.01680 0.00000 Ca3 0.01317 0.03002 0.00898 0.00744 -0.00114 0.00264 Si1 0.00910 0.00988 0.00657 -0.00072 -0.00201 0.00036 Si2 0.00772 0.01124 0.00625 0.00072 0.00011 0.00036 P1 0.00910 0.00988 0.00657 0.00023 -0.00201 0.00164 P2 0.00861 0.00958 0.00844 -0.00072 -0.00114 0.00036 O1 0.02761 0.00769 0.02038 -0.00036 0.00223 0.00182 O2 0.03177 0.02149 0.00614 0.01277 -0.00353 0.00009 O3 0.01379 0.09118 0.02465 0.01579 -0.00038 0.00464 O4 0.03506 0.01350 0.00537 0.00442 -0.00185 -0.00082 O5 0.03913 0.00958 0.01589 -0.00099 0.00402 -0.00500 O6 0.03633 0.01893 0.02926 -0.01263 0.01289 0.00073 O7 0.03519 0.00566 0.03419 0.00072 0.00353 -0.00291 O8 0.02089 0.03514 0.00449 -0.00568 -0.00098 0.00264 O9 0.00999 0.02074 0.02071 0.00189 -0.00566 0.00564 O10 0.01012 0.02451 0.01841 -0.00329 -0.00114 0.00918 O11 0.02596 0.01795 0.03693 -0.00036 0.00392 -0.01518 O12 0.03166 0.02074 0.14200 -0.00352 0.04736 -0.01327 O13 0.17464 0.03545 0.02904 -0.00176 0.01098 -0.00618 O14 0.02988 0.03454 0.13488 -0.00582 -0.03469 -0.00709 O15 0.03190 -0.00415 -0.00241 0.01719 0.02023 0.00854 O16 0.11044 0.05113 0.01523 -0.04733 0.03850 -0.04554 O17 0.01633 -0.02051 0.05062 0.00199 0.07189 0.00982