data_global _chemical_name_mineral 'Camaraite' loop_ _publ_author_name 'Camara F' 'Sokolova E' 'Nieto F' _journal_name_full 'Mineralogical Magazine' _journal_volume 73 _journal_year 2009 _journal_page_first 855 _journal_page_last 870 _publ_section_title ; Camaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. II. The crystal structure and crystal chemistry of a new group-II Ti-disilicate mineral ; _database_code_amcsd 0014596 _chemical_compound_source 'the Verkhnee Espe alkaline deposit, Akjailyautas Mountains, Kazakhstan' _chemical_formula_sum 'Fe10.08 Mn5.12 Mg.16 Zr.16 Ca.58 (Ti7.44 Nb.48 Al.08) Si16 Ba5.22 K.68 Na2.58 O71.98 (F6.02 H7.98)' _cell_length_a 10.6965 _cell_length_b 13.7861 _cell_length_c 21.478 _cell_angle_alpha 99.345 _cell_angle_beta 92.315 _cell_angle_gamma 89.993 _cell_volume 3122.560 _exptl_crystal_density_diffrn 4.058 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-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 Fe2+MO1 0.43483 0.93864 0.74206 0.55000 0.01160 Fe3+MO1 0.43483 0.93864 0.74206 0.08000 0.01160 MnMO1 0.43483 0.93864 0.74206 0.32000 0.01160 MgMO1 0.43483 0.93864 0.74206 0.01000 0.01160 ZrMO1 0.43483 0.93864 0.74206 0.01000 0.01160 CaMO1 0.43483 0.93864 0.74206 0.01000 0.01160 Fe2+MO2 0.43694 0.18505 0.74447 0.55000 0.01060 Fe3+MO2 0.43694 0.18505 0.74447 0.08000 0.01060 MnMO2 0.43694 0.18505 0.74447 0.32000 0.01060 MgMO2 0.43694 0.18505 0.74447 0.01000 0.01060 ZrMO2 0.43694 0.18505 0.74447 0.01000 0.01060 CaMO2 0.43694 0.18505 0.74447 0.01000 0.01060 Fe2+MO3 0.18444 0.31156 0.73935 0.55000 0.00970 Fe3+MO3 0.18444 0.31156 0.73935 0.08000 0.00970 MnMO3 0.18444 0.31156 0.73935 0.32000 0.00970 MgMO3 0.18444 0.31156 0.73935 0.01000 0.00970 ZrMO3 0.18444 0.31156 0.73935 0.01000 0.00970 CaMO3 0.18444 0.31156 0.73935 0.01000 0.00970 Fe2+MO4 0.68883 0.06102 0.74836 0.55000 0.00940 Fe3+MO4 0.68883 0.06102 0.74836 0.08000 0.00940 MnMO4 0.68883 0.06102 0.74836 0.32000 0.00940 MgMO4 0.68883 0.06102 0.74836 0.01000 0.00940 ZrMO4 0.68883 0.06102 0.74836 0.01000 0.00940 CaMO4 0.68883 0.06102 0.74836 0.01000 0.00940 Fe2+MO5 0.43850 0.43667 0.74667 0.55000 0.01200 Fe3+MO5 0.43850 0.43667 0.74667 0.08000 0.01200 MnMO5 0.43850 0.43667 0.74667 0.32000 0.01200 MgMO5 0.43850 0.43667 0.74667 0.01000 0.01200 ZrMO5 0.43850 0.43667 0.74667 0.01000 0.01200 CaMO5 0.43850 0.43667 0.74667 0.01000 0.01200 Fe2+MO6 0.93645 0.18536 0.74390 0.55000 0.01610 Fe3+MO6 0.93645 0.18536 0.74390 0.08000 0.01610 MnMO6 0.93645 0.18536 0.74390 0.32000 0.01610 MgMO6 0.93645 0.18536 0.74390 0.01000 0.01610 ZrMO6 0.93645 0.18536 0.74390 0.01000 0.01610 CaMO6 0.93645 0.18536 0.74390 0.01000 0.01610 Fe2+MO7 0.18740 0.06414 0.74976 0.55000 0.00910 Fe3+MO7 0.18740 0.06414 0.74976 0.08000 0.00910 MnMO7 0.18740 0.06414 0.74976 0.32000 0.00910 MgMO7 0.18740 0.06414 0.74976 0.01000 0.00910 ZrMO7 0.18740 0.06414 0.74976 0.01000 0.00910 CaMO7 0.18740 0.06414 0.74976 0.01000 0.00910 Fe2+MO8 0.18618 0.80846 0.73804 0.55000 0.01010 Fe3+MO8 0.18618 0.80846 0.73804 0.08000 0.01010 MnMO8 0.18618 0.80846 0.73804 0.32000 0.01010 MgMO8 0.18618 0.80846 0.73804 0.01000 0.01010 ZrMO8 0.18618 0.80846 0.73804 0.01000 0.01010 CaMO8 0.18618 0.80846 0.73804 0.01000 0.01010 TiMH1 0.13405 0.91975 0.10904 0.93000 0.00870 NbMH1 0.13405 0.91975 0.10904 0.06000 0.00870 AlMH1 0.13405 0.91975 0.10904 0.01000 0.00870 TiMH2 0.36611 0.11651 0.88994 0.93000 0.00920 NbMH2 0.36611 0.11651 0.88994 0.06000 0.00920 AlMH2 0.36611 0.11651 0.88994 0.01000 0.00920 TiMH3 0.50856 0.79405 0.59882 0.93000 0.00480 NbMH3 0.50856 0.79405 0.59882 0.06000 0.00480 AlMH3 0.50856 0.79405 0.59882 0.01000 0.00480 TiMH4 0.00852 0.75532 0.59945 0.93000 0.00380 NbMH4 0.00852 0.75532 0.59945 0.06000 0.00380 AlMH4 0.00852 0.75532 0.59945 0.01000 0.00380 Si1 0.23060 0.08018 0.38341 1.00000 0.00820 Si2 0.22960 0.86253 0.38407 1.00000 0.00790 Si3 0.12520 0.73230 0.87103 1.00000 0.00810 Si4 0.12490 0.95336 0.87138 1.00000 0.00880 Si5 0.10430 0.23368 0.87155 1.00000 0.00820 Si6 0.60510 0.95443 0.87165 1.00000 0.00800 Si7 0.24950 0.92056 0.61625 1.00000 0.00790 Si8 0.24927 0.13881 0.61685 1.00000 0.00740 BaAP1 0.87372 0.36887 0.98145 1.00000 0.01629 BaAP2 0.12668 0.12888 0.01671 1.00000 0.01072 BaAP3 0.50000 0.00000 0.50000 0.72000 0.00540 KAP3 0.50000 0.00000 0.50000 0.28000 0.00540 BaAP4A 0.00050 0.03890 0.49960 0.25000 0.02520 KAP4B -0.00670 -0.00460 0.48860 0.20000 0.02520 NaBP1 0.25000 0.25000 0.50000 0.86000 0.01720 CaBP1 0.25000 0.25000 0.50000 0.14000 0.01720 NaBP2 0.25000 0.00000 0.50000 0.86000 0.01650 CaBP2 0.25000 0.00000 0.50000 0.14000 0.01650 O1 0.26840 0.42870 0.69330 1.00000 0.00980 O2 0.12740 0.15620 0.41430 1.00000 0.01630 O3 0.13260 0.39530 0.58510 1.00000 0.01740 O4 0.18270 0.97620 0.40380 1.00000 0.01560 O5 0.27050 0.66680 0.69240 1.00000 0.00820 O6 0.36710 0.85280 0.41480 1.00000 0.01570 O7 0.12670 0.80210 0.41570 1.00000 0.01770 O8 0.00700 0.27580 0.09860 1.00000 0.01920 O9 0.26590 0.81980 1.09190 1.00000 0.01940 O10 0.11590 0.69800 0.79530 1.00000 0.00970 O11 0.67700 0.34640 0.88420 1.00000 0.01730 O12 0.23500 0.02550 0.90660 1.00000 0.01920 O13 0.11360 0.94810 0.79540 1.00000 0.01190 O14 0.00640 0.02010 0.09810 1.00000 0.01760 O15 0.10250 0.20100 0.79500 1.00000 0.01080 O16 0.24150 0.22250 0.90050 1.00000 0.02000 O17 -0.00040 0.18000 0.90640 1.00000 0.01870 O18 0.05530 0.34780 0.88560 1.00000 0.01640 O19 0.25950 0.01990 1.09650 1.00000 0.02000 O20 0.50130 0.02760 0.90760 1.00000 0.01890 O21 0.60520 0.94980 0.79550 1.00000 0.01010 O22 0.38120 0.89480 0.58500 1.00000 0.01740 O23 0.26110 0.92980 0.69280 1.00000 0.00990 O24 0.14140 0.84390 0.58440 1.00000 0.01610 O25 0.19850 0.02510 0.59710 1.00000 0.01670 O26 0.25900 0.16960 0.69340 1.00000 0.01000 O27 0.38210 0.14730 0.58650 1.00000 0.01600 O28 0.14180 0.19840 0.58410 1.00000 0.01660 O29 0.98030 0.21380 0.31560 1.00000 0.01160 O30 0.14340 0.92990 0.19310 1.00000 0.01230 O31 0.98200 0.69390 0.31680 1.00000 0.01500 O32 0.35670 0.08310 0.80510 1.00000 0.01250 O-HXOA1 0.51210 0.05150 0.70010 0.57000 0.01430 FXOA1 0.51210 0.05150 0.70010 0.43000 0.01430 O-HXOA2 0.01200 0.04930 0.70200 0.57000 0.01260 FXOA2 0.01200 0.04930 0.70200 0.43000 0.01260 O-HXOA3 0.36090 0.82310 0.78470 0.57000 0.01180 FXOA3 0.36090 0.82310 0.78470 0.43000 0.01180 O-HXOA4 0.36030 0.32000 0.78660 0.57000 0.01870 FXOA4 0.36030 0.32000 0.78660 0.43000 0.01870 O-HXPM1 0.12720 0.89990 0.01050 0.57000 0.01450 FXPM1 0.12720 0.89990 0.01050 0.43000 0.01450 O-HXPM2 0.37510 0.15220 0.98880 0.57000 0.01350 FXPM2 0.37510 0.15220 0.98880 0.43000 0.01350 O-HXPM3 0.00100 0.27440 0.49960 0.57000 0.00950 FXPM3 0.00100 0.27440 0.49960 0.43000 0.00950 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 Fe2+MO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 Fe3+MO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 MnMO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 MgMO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 ZrMO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 CaMO1 0.00780 0.01350 0.01400 -0.00210 -0.00300 0.00490 Fe2+MO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 Fe3+MO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 MnMO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 MgMO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 ZrMO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 CaMO2 0.00820 0.01020 0.01320 0.00110 -0.00070 0.00190 Fe2+MO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 Fe3+MO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 MnMO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 MgMO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 ZrMO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 CaMO3 0.00800 0.00990 0.01100 0.00030 -0.00080 0.00180 Fe2+MO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 Fe3+MO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 MnMO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 MgMO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 ZrMO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 CaMO4 0.00830 0.00950 0.01050 -0.00010 -0.00050 0.00170 Fe2+MO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 Fe3+MO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 MnMO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 MgMO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 ZrMO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 CaMO5 0.00760 0.01420 0.01520 -0.00240 -0.00350 0.00680 Fe2+MO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 Fe3+MO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 MnMO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 MgMO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 ZrMO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 CaMO6 0.00910 0.01570 0.02070 0.00340 -0.00600 -0.00390 Fe2+MO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 Fe3+MO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 MnMO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 MgMO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 ZrMO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 CaMO7 0.00720 0.01030 0.00960 0.00050 -0.00020 0.00130 Fe2+MO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 Fe3+MO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 MnMO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 MgMO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 ZrMO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 CaMO8 0.00770 0.01060 0.01190 -0.00020 -0.00060 0.00170 TiMH1 0.00460 0.01520 0.00680 -0.00050 -0.00040 0.00320 NbMH1 0.00460 0.01520 0.00680 -0.00050 -0.00040 0.00320 AlMH1 0.00460 0.01520 0.00680 -0.00050 -0.00040 0.00320 TiMH2 0.00490 0.01560 0.00660 -0.00010 -0.00050 0.00020 NbMH2 0.00490 0.01560 0.00660 -0.00010 -0.00050 0.00020 AlMH2 0.00490 0.01560 0.00660 -0.00010 -0.00050 0.00020 TiMH3 0.00250 0.00810 0.00340 -0.00020 -0.00090 0.00030 NbMH3 0.00250 0.00810 0.00340 -0.00020 -0.00090 0.00030 AlMH3 0.00250 0.00810 0.00340 -0.00020 -0.00090 0.00030 TiMH4 0.00320 0.00510 0.00290 0.00010 -0.00090 0.00010 NbMH4 0.00320 0.00510 0.00290 0.00010 -0.00090 0.00010 AlMH4 0.00320 0.00510 0.00290 0.00010 -0.00090 0.00010 Si1 0.00970 0.00770 0.00720 -0.00010 -0.00010 0.00140 Si2 0.00980 0.00760 0.00610 0.00060 0.00010 0.00020 Si3 0.01100 0.00740 0.00570 0.00090 -0.00090 0.00080 Si4 0.01240 0.00870 0.00540 0.00160 0.00040 0.00100 Si5 0.01280 0.00640 0.00540 -0.00070 0.00090 0.00040 Si6 0.01190 0.00790 0.00470 -0.00020 -0.00060 0.00260 Si7 0.01020 0.00690 0.00640 0.00050 -0.00080 0.00090 Si8 0.00790 0.00710 0.00730 0.00120 0.00050 0.00170 BaAP1 0.00880 0.02900 0.01060 -0.00086 0.00029 0.00200 BaAP2 0.00900 0.01400 0.00890 0.00063 -0.00020 0.00113 BaAP3 0.00880 0.00400 0.00390 -0.00030 -0.00080 0.00110 KAP3 0.00880 0.00400 0.00390 -0.00030 -0.00080 0.00110 BaAP4A 0.02180 0.03800 0.01530 -0.00240 -0.00380 0.00500 KAP4B 0.02180 0.03800 0.01530 -0.00240 -0.00380 0.00500 NaBP1 0.02500 0.02200 0.00400 -0.00670 0.00100 0.00070 CaBP1 0.02500 0.02200 0.00400 -0.00670 0.00100 0.00070 NaBP2 0.02600 0.01700 0.00600 0.00980 -0.00130 0.00010 CaBP2 0.02600 0.01700 0.00600 0.00980 -0.00130 0.00010 O1 0.01300 0.00900 0.00700 0.00000 0.00000 0.00000 O2 0.01300 0.02500 0.01100 0.00200 0.00000 0.00400 O3 0.01100 0.02700 0.01400 -0.00500 -0.00400 0.00200 O4 0.01700 0.01300 0.01700 0.00200 0.00100 0.00100 O5 0.00800 0.01100 0.00700 -0.00100 0.00000 0.00300 O6 0.00800 0.02700 0.01100 0.00600 -0.00400 0.00100 O7 0.01200 0.02800 0.01300 -0.00200 -0.00100 0.00300 O8 0.01300 0.02400 0.01800 -0.00400 0.00400 -0.00300 O9 0.01200 0.03200 0.01400 0.00400 0.00100 0.00300 O10 0.01000 0.01100 0.00800 0.00100 0.00200 -0.00100 O11 0.01900 0.01300 0.01900 -0.00300 -0.00600 0.00200 O12 0.01400 0.02700 0.01700 -0.00300 0.00000 0.00400 O13 0.01400 0.01700 0.00500 0.00100 0.00100 0.00300 O14 0.00700 0.03200 0.01600 0.00800 0.00600 0.00700 O15 0.01300 0.01400 0.00500 -0.00200 -0.00200 0.00000 O16 0.00800 0.03100 0.01700 0.00400 -0.00500 -0.00500 O17 0.01100 0.02900 0.01400 -0.00500 0.00100 -0.00100 O18 0.02000 0.01400 0.01600 0.00000 0.00200 0.00300 O19 0.01300 0.03200 0.01700 -0.00800 -0.00500 0.01100 O20 0.01100 0.02600 0.01800 0.00300 -0.00200 0.00200 O21 0.01100 0.01200 0.00800 0.00200 -0.00200 0.00600 O22 0.01000 0.02800 0.01500 0.00600 0.00100 0.00600 O23 0.00900 0.01200 0.00900 0.00100 0.00100 0.00000 O24 0.01300 0.02200 0.01300 0.00000 0.00300 -0.00100 O25 0.01800 0.01600 0.01600 0.00100 0.00100 0.00100 O26 0.01400 0.01100 0.00500 -0.00200 0.00100 0.00100 O27 0.00900 0.02400 0.01300 -0.00400 0.00300 -0.00100 O28 0.01400 0.02100 0.01500 0.00500 0.00100 0.00300 O29 0.00900 0.01700 0.00700 -0.00200 -0.00200 -0.00300 O30 0.00900 0.02100 0.00900 -0.00200 -0.00200 0.00700 O31 0.01000 0.02600 0.01100 0.00300 -0.00100 0.00800 O32 0.00900 0.02100 0.00700 0.00200 0.00000 0.00000 O-HXOA1 0.01600 0.01800 0.00800 -0.00100 0.00000 0.00000 FXOA1 0.01600 0.01800 0.00800 -0.00100 0.00000 0.00000 O-HXOA2 0.01200 0.01700 0.00900 0.00100 0.00000 0.00400 FXOA2 0.01200 0.01700 0.00900 0.00100 0.00000 0.00400 O-HXOA4 0.01400 0.02600 0.01600 0.00400 0.00200 0.00300 FXOA4 0.01400 0.02600 0.01600 0.00400 0.00200 0.00300 O-HXPM2 0.01200 0.02300 0.00300 0.00100 -0.00100 -0.00300 FXPM2 0.01200 0.02300 0.00300 0.00100 -0.00100 -0.00300 O-HXPM3 0.01400 0.01000 0.00500 0.00100 -0.00300 0.00200 FXPM3 0.01400 0.01000 0.00500 0.00100 -0.00300 0.00200