data_global _chemical_name_mineral 'Paravinogradovite' loop_ _publ_author_name 'Khomyakov A P' 'Kulikova I E' 'Sokolova E V' 'Hawthorne F C' 'Kartashov P M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 989 _journal_page_last 1002 _publ_section_title ; Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure Locality: Khibina Alkaline Massif, Kola Penninsula, Russia ; _chemical_formula_sum 'Na2.07 K.13 (Ti3.52 Fe.48) Si7.6 Al.1 Be.3 O27.17 H10' _cell_length_a 5.2533 _cell_length_b 8.7411 _cell_length_c 12.9480 _cell_angle_alpha 70.466 _cell_angle_beta 78.472 _cell_angle_gamma 89.932 _cell_volume 547.654 _exptl_crystal_density_diffrn 2.764 _symmetry_space_group_name_H-M 'P 1' loop_ _symmetry_equiv_pos_as_xyz '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 NaX(1) -0.00440 0.45330 0.20920 0.76000 0.02130 NaX(2) -0.51250 -0.15990 0.20990 0.43000 0.01800 NaX(3) -0.52200 0.15400 -0.20200 0.16000 0.04800 NaA(1) -0.14400 -0.00700 -0.50690 0.18000 0.05000 NaA(2) -0.33800 -0.00900 -0.49490 0.20000 0.05000 NaA(3) 0.25000 -0.00700 -0.50400 0.15000 0.05000 NaA(4) 0.40300 -0.06900 -0.50530 0.19000 0.05000 KA(5) -0.16700 0.11900 -0.50180 0.13000 0.05000 TiM(1) -0.00260 0.04863 0.19107 0.88000 0.01010 FeM(1) -0.00260 0.04863 0.19107 0.12000 0.01010 TiM(2) -0.01290 -0.04434 -0.19148 0.88000 0.00900 FeM(2) -0.01290 -0.04434 -0.19148 0.12000 0.00900 TiM(3) -0.49460 0.26018 0.19098 0.88000 0.01090 FeM(3) -0.49460 0.26018 0.19098 0.12000 0.01090 TiM(4) 0.48620 -0.26523 -0.18922 0.88000 0.00860 FeM(4) 0.48620 -0.26523 -0.18922 0.12000 0.00860 SiT(1) 0.29150 0.35660 -0.03811 0.90000 0.00770 AlT(1) 0.29150 0.35660 -0.03811 0.10000 0.00770 SiT(2) -0.30670 -0.35110 0.03801 1.00000 0.00820 SiT(3) -0.20820 0.18830 -0.04019 1.00000 0.00790 SiT(4) 0.19500 -0.17670 0.03601 0.70000 0.00680 BeT(4) 0.19500 -0.17670 0.03601 0.30000 0.00680 SiT(5) 0.20620 0.33360 -0.36896 1.00000 0.01090 SiT(6) -0.64350 0.46110 0.37055 1.00000 0.01090 SiT(7) 0.70220 -0.46720 -0.36715 1.00000 0.01160 SiT(8) -0.14730 -0.33840 0.37178 1.00000 0.00810 O(1) 0.22980 0.27590 0.10010 1.00000 0.00890 O(2) -0.27270 0.12800 0.09820 1.00000 0.00920 O(3) 0.18200 -0.02660 0.07960 1.00000 0.01250 O(4) -0.31900 0.45080 0.08740 1.00000 0.01270 O-h(5) -0.22300 0.18450 0.27030 1.00000 0.00900 O-h(6) 0.28060 0.04620 0.26960 1.00000 0.01020 O(7) 0.06220 0.29840 -0.08800 1.00000 0.01170 O(8) 0.56330 0.29260 -0.08730 1.00000 0.01030 O(9) -0.15980 -0.14030 0.28510 1.00000 0.01380 O(10) -0.24390 -0.33990 0.50740 1.00000 0.02590 O(11) -0.66610 0.34830 0.29220 1.00000 0.01530 O(12) -0.83840 0.60440 0.34550 1.00000 0.01820 O(13) -0.34980 0.53200 0.34360 1.00000 0.01990 O-h(14) 0.21230 -0.18330 -0.27100 1.00000 0.01440 O-h(15) -0.28480 -0.05420 -0.27270 1.00000 0.01410 O(16) 0.25600 -0.13110 -0.09870 1.00000 0.01000 O(17) -0.24600 -0.27070 -0.09750 1.00000 0.01020 O(18) -0.18550 0.03230 -0.08370 1.00000 0.01160 O(19) -0.08200 -0.29100 0.08750 1.00000 0.01030 O(20) 0.31020 0.55130 -0.07780 1.00000 0.01070 O(21) -0.58390 -0.29290 0.08800 1.00000 0.01280 O(22) 0.15280 0.14190 -0.29230 1.00000 0.01750 O(23) 0.26980 0.34090 -0.49900 1.00000 0.01880 O(24) 0.65090 -0.36430 -0.28390 1.00000 0.01970 O(25) 0.95770 -0.56870 -0.34440 1.00000 0.03590 O(26) 0.45520 0.40750 -0.34310 1.00000 0.03120 Wat(27) 0.26000 -0.16200 -0.50030 0.48000 0.05000 Wat(28) -0.31600 0.12000 -0.49360 0.38000 0.05000 Wat(29) 0.09200 -0.06500 -0.49220 0.31000 0.05000 H(1) -0.23900 0.15100 0.34840 1.00000 0.01080 H(2) 0.27600 -0.04200 0.34500 1.00000 0.01200 H(3) 0.11800 -0.24300 -0.30900 1.00000 0.01700 H(4) -0.36000 0.02900 -0.29800 1.00000 0.01700 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 NaX(1) 0.02200 0.01700 0.02700 0.00330 -0.01200 -0.00750 NaX(2) 0.01400 0.02600 0.01700 0.00700 -0.00900 -0.00800 NaX(3) 0.05400 0.02500 0.09000 0.00100 -0.05100 -0.03100 TiM(1) 0.01260 0.00870 0.00820 0.00200 -0.00240 -0.00170 FeM(1) 0.01260 0.00870 0.00820 0.00200 -0.00240 -0.00170 TiM(2) 0.00900 0.00830 0.00890 0.00030 -0.00040 -0.00270 FeM(2) 0.00900 0.00830 0.00890 0.00030 -0.00040 -0.00270 TiM(3) 0.01290 0.00940 0.01060 -0.00110 0.00030 -0.00530 FeM(3) 0.01290 0.00940 0.01060 -0.00110 0.00030 -0.00530 TiM(4) 0.00800 0.01040 0.00770 -0.00050 -0.00020 -0.00420 FeM(4) 0.00800 0.01040 0.00770 -0.00050 -0.00020 -0.00420 SiT(1) 0.00750 0.00780 0.00810 0.00070 -0.00070 -0.00370 AlT(1) 0.00750 0.00780 0.00810 0.00070 -0.00070 -0.00370 SiT(2) 0.00700 0.00750 0.00900 0.00060 -0.00270 -0.00080 SiT(3) 0.00660 0.01090 0.00650 0.00200 -0.00100 -0.00350 SiT(4) 0.00490 0.00640 0.00920 -0.00080 -0.00100 -0.00290 BeT(4) 0.00490 0.00640 0.00920 -0.00080 -0.00100 -0.00290 SiT(5) 0.01230 0.01070 0.00740 -0.00020 -0.00090 -0.00050 SiT(6) 0.00990 0.01340 0.00880 0.00040 -0.00120 -0.00340 SiT(7) 0.01510 0.01130 0.00820 -0.00150 0.00060 -0.00460 SiT(8) 0.00820 0.00680 0.00850 -0.00010 -0.00020 -0.00230 O(1) 0.00900 0.00600 0.01000 0.00030 -0.00230 -0.00100 O(2) 0.01000 0.00900 0.00800 -0.00130 -0.00150 -0.00200 O(3) 0.01300 0.01400 0.01500 0.00260 -0.00400 -0.01000 O(4) 0.01200 0.01100 0.01100 -0.00350 -0.00320 0.00200 Oh(5) 0.01000 0.00900 0.00700 -0.00200 0.00090 -0.00200 Oh(6) 0.01300 0.01000 0.00600 -0.00190 -0.00280 -0.00100 O(7) 0.00700 0.01700 0.01200 -0.00740 -0.00180 -0.00700 O(8) 0.00800 0.01100 0.01100 0.00240 -0.00210 -0.00400 O(9) 0.02000 0.01100 0.00700 -0.00300 -0.00300 0.00200 O(10) 0.04700 0.01400 0.01400 0.00300 -0.00400 -0.00300 O(11) 0.01600 0.01800 0.01700 0.00350 -0.00400 -0.01000 O(12) 0.01700 0.01900 0.01800 0.00180 0.00090 -0.00920 O(13) 0.01600 0.01900 0.02400 -0.00190 -0.00230 -0.00700 Oh(14) 0.01100 0.02100 0.01400 0.01000 -0.00700 -0.00800 Oh(15) 0.01100 0.01400 0.01600 -0.00050 -0.00100 -0.00500 O(16) 0.00700 0.01400 0.00800 -0.00130 0.00020 -0.00500 O(17) 0.01100 0.01500 0.00400 -0.00110 -0.00280 0.00000 O(18) 0.00900 0.01000 0.01700 0.00200 -0.00150 -0.00700 O(19) 0.00600 0.01500 0.00700 -0.00170 -0.00020 -0.00100 O(20) 0.01100 0.00700 0.01400 0.00390 -0.00240 -0.00300 O(21) 0.01000 0.01800 0.00600 0.00440 -0.00110 0.00200 O(22) 0.01500 0.01400 0.01700 -0.00800 0.00400 -0.00200 O(23) 0.02700 0.02000 0.00600 -0.00100 0.00300 -0.00300 O(24) 0.02500 0.02300 0.01500 0.00800 -0.00300 -0.01200 O(25) 0.03400 0.04200 0.02700 0.01800 0.00100 -0.00900 O(26) 0.04100 0.02700 0.02000 -0.01900 -0.00800 -0.00100