Thornasite
	Li Y, Krivovichev S V, Burns P C
	American Mineralogist 85 (2000) 1521-1525
	The crystal structure of thornasite: A novel interrupted silicate framework
	_database_code_amcsd 0002591
	29.124 29.124 17.2602 90 90 120 R-3c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Th .15425 .82091 1/12 .017 .017 .014 .009 -.001 .001
	Si1 .1684 .9008 -.0861 .016 .020 .012 .007 .001 .005
	Si2 .0641 .8073 -.0689 .014 .019 .017 .008 -.002 -.001
	Si3 .1595 .9499 .0598 .016 .013 .017 .007 .000 .002
	Si4 .0991 .7289 -.0929 .017 .012 .013 .006 -.001 .001
	Si5 .0645 .9663 .0512 .036 .039 .060 .022 .000 -.003
	Si6 0 0 .3415 .039 .039 .079 .020 0 0
	Na1 .1486 .8954 .2413 .114 .076 .030 .065 .008 .003
	Na2 .0287 .8237 .1184 .060 .141 .053 .059 -.004 .009
	O1 .1925 .8713 -.0390 .027 .028 .019 .017 .007 .010
	O2 .1629 .9054 .1074 .045 .016 .017 .017 -.004 .000
	O3 .1362 .7548 -.0195 .031 .025 .023 .016 -.016 -.008
	O4 .0769 .8109 .0204 .019 .038 .015 .016 -.002 -.004
	O5 .0082 .8033 -.0885 .018 .054 .017 .019 .001 -.001
	O6 .0587 2/3 -1/12 .022 .011 .041 .006 .006 .011
	O7 .0628 .7563 -.1099 .029 .021 .022 .017 -.007 -.005
	O8 .1086 .8592 -.1150 .017 .019 .024 .003 -.004 .005
	O9 .1658 .9465 -.0346 .030 .017 .015 .010 -.001 .001
	O10 .1998 .9313 -.1628 .029 .040 .018 .018 .013 .017
	O11 .1033 .9466 .0762 .028 .065 .046 .034 .002 .010
	O12 .0960 .0159 -.0067 .066 .049 .089 .022 .008 .023
	O13 0 0 .25 .000 .000 .089 .000 0 0
	O14 .0432 .9822 .1254 .053 .083 .084 .043 .011 -.009
	Wat15 .2323 0 .25 .210 .210 .040 .107 .012 .023
	Wat16 .0998 .9422 .2668 .210 .170 .130 .090 -.025 .029
	Wat17 0 .8910 .25 .370 .370 .380 .187 -.003 -.002
	Wat18 .3072 .0421 .3408 .155 .080 .121 .051 .058 -.009
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	Allabogdanite
	Britvin S N, Rudashevsky N S, Krivovichev S V, Burns P C, Polekhovsky Y S
	American Mineralogist 87 (2002) 1245-1249
	Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite:
	The occurence and crystal structure
	_database_code_amcsd 0002898
	5.792 3.564 6.691 90 90 90 Pnma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 .3577 .25 .9357 .75 .0095 .0129 .0084 .0072 0 .0001 0
	Ni1 .3577 .25 .9357 .25 .0095 .0129 .0084 .0072 0 .0001 0
	Fe2 .4693 .25 .3324 .75 .0111 .014 .0114 .0080 0 .0010 0
	Ni2 .4693 .25 .3324 .25 .0111 .014 .0114 .0080 0 .0010 0
	P .2443 .25 .6225 .0071 .009 .007 .005 0 .0002 0
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	Cafetite
	Krivovichev S V, Yakovenchuk V N, Burns P C, Pakhomovsky Y A, Menshikov Y P
	American Mineralogist 88 (2003) 424-429
	Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula
	Locality: alkaline rocks in the Afrikanda massif, Kola peninsula, Russia.
	_database_code_amcsd 0002986
	4.9436 12.109 15.911 90 98.937 90 P2_1/n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .8280 .69732 .45767 .0081 .0090 .0066 .0076 -.0003 -.0021 .0000
	Ti2 .2259 .51318 .43865 .0094 .0102 .0088 .0083 -.0001 -.0016 .0005
	Ti3 .9742 .91031 .57249 .0078 .0091 .0074 .0060 .0002 -.0018 .0007
	Ti4 .5820 .11252 .54933 .0077 .0091 .0069 .0060 .0001 -.0018 -.0004
	Ca1 .5198 .95070 .74009 .0149 .0171 .0154 .0107 -.0022 -.0026 -.0011
	Ca2 .5906 .30997 .37755 .0098 .0103 .0085 .0097 .0002 -.0016 -.0011
	O1 .9544 .4030 .4588 .0087 .0079 .0103 .0072 .0010 -.0011 -.0010
	O2 .6707 .8122 .5478 .0090 .0071 .0091 .0100 -.0013 -.0015 -.0019
	O3 .8802 .1926 .5150 .0117 .0139 .0092 .0126 -.0016 .0033 -.0013
	O4 .2691 .0043 .5342 .0087 .0107 .0088 .0063 .0001 .0006 .0010
	O5 .5430 .6009 .4870 .0107 .0102 .0117 .0089 -.0007 -.0025 -.0006
	O6 .4351 .2114 .6174 .0100 .0116 .0102 .0068 .0010 -.0034 -.0010
	O7 .7844 .0199 .6331 .0101 .0099 .0120 .0071 .0007 -.0033 -.0007
	O8 .1721 .8480 .6616 .0114 .0156 .0104 .0070 .0011 -.0018 -.0001
	O9W .2450 .2208 .2645 .0154 .0150 .0220 .0073 .0019 -.0029 .0014
	O10W .2148 .1098 .7410 .0153 .0160 .0179 .0112 -.0030 -.0014 -.0001
	O11 .3218 .4661 .3440 .0144 .0190 .0129 .0105 .0076 .0008 -.0004
	O12 .9673 .6219 .3763 .0126 .0140 .0139 .0096 .0048 -.0008 .0011
	H1 .069 .211 .282 .0430
	H2 .079 .083 .696 .0430
	H3 .167 .246 .209 .0430
	H4 .302 .162 .709 .0430
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	Jonesite
	Krivovichev S V, Armbruster T
	American Mineralogist 89 (2004) 314-318
	The crystal structure of jonesite, Ba2(K,Na)[Ti2(Si5Al)O18(H2O)](H2O)n:
	A first example of titanosilicate with porous double layers
	Locality: Benitoite mine, New Idria District, San Benito Co., California, USA
	_database_code_amcsd 0003405
	10.618 25.918 8.6945 90 127.633 90 P2_1/m
	atom x y z occ Uiso
	Ba1 .49799 .517595 .24430 .01207
	Ba2 .00154 .47576 -.24868 .01449
	K1 .2822 .2500 -.2510 .70 .049
	Na1 .2822 .2500 -.2510 .30 .049
	K2 .7146 .2500 .7472 .50 .027
	Na2 .7146 .2500 .7472 .10 .027
	K3 .7884 .2500 .7294 .40 .147
	Ti1 .2682 .57478 -.2123 .0121
	Ti2 .2604 .43091 .2752 .0128
	Si1 .8767 .60395 .4844 .0107
	Si2 .3469 .38986 -.0279 .0146
	Si3 -.1248 .38956 -.0289 .0085
	Si4 .6392 .39499 .5151 .0110
	Si5 .3978 .31321 .2522 .395 .0127
	Al5 .3978 .31321 .2522 .395 .0127
	Si6 .1075 .31288 .2618 .395 .0082
	Al6 .1075 .31288 .2618 .395 .0082
	Si5A .6085 .3115 .2516 .105 .010
	Al5A .6085 .3115 .2516 .105 .010
	Si6A -.1106 .3130 .2263 .105 .010
	Al6A -.1106 .3130 .2263 .105 .010
	O1 .0389 .5708 .5886 .0190
	O2 .7016 .4275 .4129 .0170
	O3 .1938 .3924 -.2584 .0185
	O4 .7971 .3896 .7423 .021
	O5 .2928 .4247 .0767 .0140
	O6 .2639 .3382 .2754 .75 .0204
	Wat6 .2639 .3382 .2754 .25 .0204
	Wat7 .7684 .3346 .2853 .79 .028
	O7A .7375 .3350 .2119 .21 .010
	O8 .5782 .3377 .4279 .79 .0060
	O8A .6326 .3306 .4396 .21 .010
	O9 .9123 .6623 .5668 .0260
	O10 .0265 .4274 .0767 .0163
	O11 .2874 .5099 -.1701 .0212
	O12 .5023 .4084 .0088 .0210
	O13 -.2466 .4081 .0079 .033
	O14 .3521 .3286 .0357 .79 .018
	O14A .4339 .3349 .0531 .21 .010
	O15 -.0603 .3296 .0429 .79 .011
	O15A -.0970 .3352 .0616 .21 .010
	O16 .4929 .4239 .4839 .0201
	O17 .7585 .5739 .5114 .023
	O18 .2568 .4970 .2743 .0278
	O19 .4074 .2500 .2796 .79 .013
	O19A .5727 .2500 .1993 .21 .010
	O20 .1147 .2500 .2868 .79 .023
	O20A -.0981 .2500 .2655 .21 .010
	Wat21 .4920 .3247 -.2570 .72 .043
	Wat22 .5011 .2500 -.2472 .26 .040
	Wat23 .6266 .2500 .0420 .40 .040
	Wat24 .9570 .2820 .7019 .28 .040
	Wat25 .7256 .2500 -.0068 .36 .066
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	Spriggite
	Brugger J, Krivovichev S V, Berlepsch P, Meisser N, Ansermet S, Armbruster T
	American Mineralogist 89 (2004) 339-347
	Spriggite, Pb3[(UO2)6O8(OH)2](H2O)3, a new mineral with beta-U3O8 - type sheets:
	Description and crystal structure
	_database_code_amcsd 0003406
	28.355 11.990 13.998 90 104.248 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U1 .12526 .50029 .06516 .0140 .0169 .0101 .0138 .0001 .0018 -.0012
	U2 .12394 -.00013 -.18999 .0145 .0181 .0101 .0152 .0005 .0041 .0009
	U3 .12656 .30570 -.18581 .0156 .0227 .013 .0100 .0024 .0025 .0000
	U4 .12454 -.30597 -.18644 .0156 .0230 .012 .0130 -.0017 .0070 .0005
	U5 .12421 .19495 .06122 .0141 .0185 .0123 .0120 -.0005 .0044 .0025
	U6 .12516 .80571 .06188 .0144 .0201 .0122 .0109 .0014 .0038 -.0002
	Pb1 .24991 .36349 -.29355 .95 .0181 .0291 .0123 .0134 .0055 .0058 .0057
	Pb2 .00727 -.3563 -.4060 .64 .0347 .009 .047 .042 .019 -.0064 -.0018
	Pb3 .00801 .1418 -.3314 .50 .0316 .015 .045 .036 -.002 .0088 -.007
	Pb4 .25059 .3412 .0248 .50 .0253 .027 .019 .034 .0048 .0156 .0056
	Pb5 .0081 -.1586 -.3468 .22 .040 .019 .061 .045 .004 .016 .015
	Pb6 .0094 -.3548 -.5894 .14 .057 .026 .083 .068 -.012 .023 -.029
	Pb7 .2500 .6392 -.3004 .05 .010
	O1 .1318 -.1379 -.0963 .032
	O2 .1127 .3616 .1436 .039
	O3 .0595 .1953 .0130 .032
	O4 .1912 .8139 .1059 .032
	O5 .0605 .7941 .0145 .032
	O6 .0588 -.3071 -.2001 .039
	O7 .0628 .3058 -.2080 .039
	O8 .1933 .4890 .1207 .039
	O9 .1919 .0017 -.1800 .039
	O10 .1336 .6486 -.0311 .032
	O11 .1921 -.2963 -.1673 .039
	O12 .1327 .1361 -.0964 .032
	O13 .1277 .3642 -.3452 .032
	O14 .1366 .3456 -.0271 .032
	O15 .1152 .1543 -.2876 .032
	OH16 .1129 .5024 -.2011 .032
	OH17 .1108 .0004 .0520 .032
	O18 .1150 .1628 .2074 .032
	O19 .0612 -.0042 -.2186 .039
	O20 .1920 .2979 -.1602 .032
	O21 .1913 .1989 .1059 .039
	O22 .0594 .5057 .0109 .039
	Wat1 .2494 .5136 -.2043 .50 .100
	Wat2 0 0 -.5 .100
	Wat3 .2379 .3581 -.4772 .100
	Wat4 .2467 .5053 -.1564 .50 .100
	Wat5 0 -.4937 -.75 .100
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	Glagolevite
	Krivovichev S V, Armbruster T, Organova N I, Burns P C, Seredkin M V, Chukanov N V
	American Mineralogist 89 (2004) 1138-1141
	Incorporation of sodium into the chlorite structure: the crystal structure
	of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8
	_database_code_amcsd 0003597
	5.3580 9.2810 14.574 90.00 97.08 90.00 C1
	atom x y z occ Uiso
	Mg1 .242 .5794 .4995 .0075
	Mg2 -.259 -.5860 -.4995 .0075
	Mg3 .246 .2457 .4986 .0075
	Mg4 .243 .7495 .0011 .0075
	Mg5 .247 .4145 .9999 .0075
	Mg6 -.253 -.4189 -.9991 .0075
	Na1 -.512 .751 .805 .30 .035
	Na2 -.556 -.735 -.793 .10 .035
	Na3 .414 -.426 -.803 .18 .035
	Si1 -.0333 .5797 .6897 .0063
	Si2 .488 .738 .6758 .199 .0063
	Si3 .4876 .4198 .6921 .801 .0063
	Si4 .0194 -.5837 -.6897 .0063
	Si5 -.457 -.4107 -.6878 .383 .0063
	Si6 -.5006 -.7581 -.6930 .617 .0063
	O1 -.059 .5824 .5764 .0106
	O2 .253 .5163 .7300 .801 .0106
	O3 -.038 .7469 .7316 .801 .0106
	O4 -.237 .4792 .7357 .801 .0106
	O5 .256 .641 .710 .199 .0106
	O6 -.039 .4050 .710 .199 .0106
	O7 -.266 .661 .729 .199 .0106
	O8 .430 .7481 .5664 .0106
	O9 .263 -.490 -.720 .383 .0106
	O10 -.248 -.509 -.7309 .383 .0106
	O11 .070 -.747 -.726 .383 .0106
	O12 .058 -.5843 -.5780 .0106
	O13 .223 -.687 -.7344 .617 .0106
	O14 .033 -.4226 -.7345 .617 .0106
	O15 -.256 -.658 -.7309 .617 .0106
	O16 -.447 -.7517 -.5785 .0106
	O17 .436 .4140 .5719 .0106
	O18 -.447 -.4204 -.5782 .0106
	OH19 .409 .5841 .9286 .0106
	OH20 -.378 -.5846 -.9307 .0106
	OH21 .116 .5829 .0709 .0106
	OH22 -.092 -.5868 -.0735 .0106
	OH23 .619 .7511 .0719 .0106
	OH24 -.598 -.7477 -.0690 .0106
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	Yuksporite
	Krivovichev S V, Yakovenchuk V N, Armbruster T, Dobelin N, Pattison P, Weber H-P, Depmeier W
	American Mineralogist 89 (2004) 1561-1565
	Porous titanosilicate nanorods in the structure of yuksporite,
	(Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n,
	resolved using synchrotron radiation
	Sample: Kola peninsula, Russia
	_database_code_amcsd 0003651
	7.126 24.913 17.075 90 101.89 90 P2_1/m
	atom x y z occ Uiso
	Ti1 .1754 .59949 .0992 .80 .008
	Nb1 .1754 .59949 .0992 .20 .008
	Ti2 -.6751 .59968 .4004 .75 .020
	Nb2 -.6751 .59968 .4004 .25 .020
	Si1 -.1835 .6319 -.0579 .014
	Si2 -.8749 .6333 .5566 .020
	Si3 -.0272 .5414 .2471 .020
	Si4 -.6302 .6324 -.0584 .016
	Si5 .0419 .6874 -.1648 .022
	Si6 -.5417 .6891 .6629 .016
	Si7 .5259 .5442 .2476 .007
	Si8 -.3152 .6335 .5563 .015
	Si9 -.6591 .6881 .2500 .016
	Sr1 -.3119 .6337 .1271 .35 .012
	Ba1 -.3119 .6337 .1271 .15 .012
	Sr2 -.1863 .6332 .3752 .35 .008
	Ba2 -.1863 .6332 .3752 .15 .008
	K1 -.0560 .75 -.3617 .90 .021
	K2 -.4425 .75 -.1352 .95 .038
	Ba2 -.4425 .75 -.1352 .05 .038
	K3 .1902 .75 .0472 .60 .036
	K4 -.6430 .75 .4511 .90 .070
	K5 .0889 .75 .0476 .40 .031
	Na1A -.1885 .6082 .3830 .50 .005
	Na2A -.3189 .6097 .1054 .50 .030
	Na3A -.9222 .4848 .4125 .75 .013
	Ca3A -.9222 .4848 .4125 .25 .013
	Ca1B .2479 .5873 -.2500 .0146
	Ca2B .0767 .5177 -.0915 .70 .010
	Na2B .0767 .5177 -.0915 .30 .010
	Ca3B -.2491 .5851 -.2499 .015
	Ca4B -.4213 .5163 -.0831 .50 .020
	Na4B -.4213 .5163 -.0831 .50 .020
	Ca5B -.4237 .4826 .4110 .80 .030
	Na5B -.4237 .4826 .4110 .20 .030
	MnM -.2532 .75 .2424 .15 .054
	FeM -.2532 .75 .2424 .10 .054
	O1 .4922 .5223 -.2541 .032
	O2 -.6784 .4232 .3872 .012
	O3 .0050 .6483 -.2381 .034
	O4 -.5099 .6449 .7320 .010
	O5 -.0116 .4794 .2479 .026
	O6 -.6730 .5801 -.1130 .032
	O7 -.6206 .5344 .4595 .010
	O8 .1427 .5373 .0446 .010
	OH9 -.6310 .4644 -.0463 .010
	OH10 -.1454 .5359 .4488 .010
	O11 -.1951 .5804 -.1031 .010
	O12 -.8177 .5794 .6045 .010
	O13 -.7554 .75 .2536 .038
	O14 -.5332 .75 .6948 .034
	O15 -.6560 .6297 .0333 .018
	O16 -.4460 .6325 .4665 .016
	O17 -.1207 .6880 -.1051 .023
	O18 -.5105 .5697 .3312 .016
	O19 -.0716 .6329 .0291 .046
	O20 -.3925 .6514 -.0434 .042
	O21 -.8293 .6331 .4682 .011
	O22 -.1003 .6491 .5519 .010
	O23 -.7397 .6862 -.1083 .039
	O24 .0144 .5659 .1678 .024
	O25 -.3915 .6801 .6046 .010
	O26 .4059 .5637 .1673 .022
	O27 -.2740 .5594 .2416 .005
	O28 .0890 .5693 .3301 .025
	O29 .0303 .75 -.2011 .002
	O30 -.7571 .6820 .6058 .004
	O31 -.1671 .75 .4211 .010
	O32 .2116 .6637 .1684 .027
	O33 -.7124 .6635 .3297 .024
	O34 -.4310 .6918 .2469 .119
	Wat35 -.0783 .6870 .2321 .59 .100
	Wat36 -.349 .75 .0981 .56 .100
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Sample A2 at T = -160 deg C
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003652
	14.2147 13.764 7.7574 90 116.653 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .25 .25 .5 1.068 .0323 .0052 .0103 .0063 .0160 .0034
	Ti2 0 .22676 .5 1.083 .0107 .0044 .0124 0 -.0070 0
	Si1 .20835 .11018 .80434 .318 .0040 .0038 .0036 -.0001 .0011 .0001
	Si2 .32098 .11115 .25107 .346 .0051 .0040 .0042 -.0004 .0022 -.0003
	O1 .08243 .11596 .6755 .53 .0047 .0065 .0073 .0003 .0013 .0009
	O2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001
	OH2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001
	O3 .42044 .18104 .3019 .65 .0078 .0077 .0104 -.0035 .0053 -.0035
	O4 .26639 .12413 .3916 .52 .0080 .0073 .0060 .0011 .0045 .0004
	O5 .3662 0 .2712 .51 .0067 .0045 .0083 0 .0034 0
	O6 .23232 .12784 .0282 .59 .0090 .0088 .0034 .0010 .0018 .0000
	O7 .2476 0 .7867 .45 .0060 .0038 .0075 0 .0032 0
	O8 .27432 .18389 .7404 .46 .0057 .0060 .0054 -.0004 .0022 .0012
	Ba(C) .08723 0 .34250 .453 .453 .0056 .0066 .0047 0 .0021 0
	Wat(C) .1098 0 .349 .493 1.5
	Mn(D) 0 0 .5 .493 .51 .0055 .0034 .0073 0 .0002 0
	K(B) .42068 0 .70446 .854 1.22 .0106 .0269 .0085 0 .0041 0
	Na(B) .4294 .0509 .731 .076 .7
	Na(A) .4134 .2629 .0116 .473 1.32 .0119 .0113 .029 -.0011 .0108 -.0032
	Wat1 -.0254 .1129 -.0059 .5 1.67 .021 .033 .011 -.013 .009 -.004
	Wat2 .4732 .1469 .0095 .5 1.35 .013 .023 .016 -.0019 .0069 .000
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Sample A2 at T = 22 deg C
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003653
	14.2446 13.7884 7.7798 90 116.709 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .25 .25 .5 1.291 .0359 .0075 .0135 .0061 .0181 .0033
	Ti2 0 .22749 .5 1.289 .0131 .0064 .0152 0 -.0063 0
	Si1 .20812 .11020 .80356 .493 .0060 .0060 .0057 -.0001 .0016 .0005
	Si2 .32038 .11124 .24992 .526 .0076 .0060 .0065 -.0008 .0033 -.0007
	O1 .08239 .11665 .6755 .79 .0069 .0094 .0111 .0001 .0018 .0019
	O2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002
	OH2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002
	O3 .42024 .18042 .3028 .97 .0118 .0114 .0155 -.0054 .0076 -.0051
	O4 .26511 .12486 .3884 .82 .0137 .0102 .0104 .0007 .0081 -.0003
	O5 .3647 0 .2705 .86 .0117 .0060 .0160 0 .0071 0
	O6 .23313 .12821 .0271 .95 .0132 .0150 .0065 .0017 .0031 .0000
	O7 .2464 0 .7858 .80 .0102 .0059 .0152 0 .0063 0
	O8 .27392 .18286 .7384 .75 .0095 .0097 .0092 -.0014 .0041 .0015
	Ba(C) .08730 0 .34257 .453 .949 .0118 .0134 .0109 0 .0051 0
	Wat(C) .1094 0 .346 .493 2.7
	Mn(D) 0 0 .5 .493 .92 .0104 .0063 .0122 0 -.0004 0
	K(B) .42052 0 .7032 .854 2.66 .0234 .0580 .0187 0 .0086 0
	Na(B) .4304 .0503 .729 .076 1.3
	Na(A) .4122 .2627 .0098 .473 2.29 .0213 .0222 .046 -.0016 .0177 -.0047
	Wat1 -.0249 .1128 -.0047 .5 2.55 .031 .047 .022 -.014 .016 -.006
	Wat2 .4733 .1475 .0101 .5 2.34 .023 .040 .029 -.002 .013 -.002
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Sample B at T = 22 deg C
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003654
	14.237 13.768 7.767 90 116.83 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .25 .25 .5 1.08 .0301 .0058 .0116 .0054 .0153 .0027
	Ti2 0 .22712 .5 1.113 .0115 .0046 .0137 0 -.0054 0
	Si1 .20816 .10996 .80316 .478 .0063 .0050 .0062 -.0003 .0022 .0005
	Si2 .31987 .11131 .24992 .509 .0075 .0052 .0069 -.0007 .0034 -.0007
	O1 .08209 .11590 .6736 .80 .0072 .0091 .0114 .0003 .0018 .0026
	O2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006
	OH2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006
	O3 .4199 .18084 .3030 .93 .0122 .0102 .0149 -.0049 .0077 -.0045
	O4 .2652 .12522 .3893 .79 .0126 .0084 .0113 .0006 .0074 -.0005
	O5 .3645 0 .2714 .83 .0109 .0057 .0156 0 .0065 0
	O6 .2326 .1282 1.0265 .90 .0125 .0132 .0072 .0011 .0033 -.0003
	O7 .2474 0 .7868 .81 .0108 .0051 .0166 0 .0078 0
	O8 .27370 .18328 .7385 .75 .0095 .0094 .0097 -.0011 .0045 .0024
	Ba(C) .08538 0 .3423 .380 1.05 .0128 .0138 .0137 0 .0063 0
	Wat(C) .1043 0 .347 .460 2.37
	Fe(D) 0 0 .5 .460 .91 .0095 .0049 .0130 0 -.0015 0
	K(B) .41995 0 .7027 .89 2.35 .0231 .047 .0185 0 .0088 0
	Na(B) .429 .042 .718 .07 .5
	Na(A) .4133 .2624 .0103 .485 2.05 .021 .021 .040 .0001 .0169 -.0027
	Wat1 -.0248 .1138 -.0061 2.47 .029 .043 .026 -.011 .016 -.005
	Wat2 .4733 .1465 .0102 1.92 .019 .031 .024 -.002 .011 -.002
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Note: Predicted ordered structure
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003655
	14.2446 13.7884 7.75 90 116.709 90 Cm
	atom x y z
	Ti1 .25 .25 .5
	Ti2 0 .2267 .5
	Si1 .2084 .1102 .8043
	Si1' -.2084 .1102 -.8043
	Si2 .3210 .1111 .2511
	Si2' -.3210 .1111 -.2511
	O1 .0824 .1160 .6755
	O1' -.0824 .1160 -.6755
	O2 .1012 .2230 .3922
	OH2' -.1012 .2230 -.3922
	O3 .4204 .1810 .3019
	O3' -.4204 .1810 -.3019
	O4 .26640 .1241 .3916
	O4' -.26640 .1241 -.3916
	O5 .3662 0 .2712
	O5' -.3662 0 -.2712
	O6 .2323 .1278 .0282
	O6' -.2323 .1278 -.0282
	O7 .2476 0 .7867
	O7' -.2476 0 -.7867
	O8 .2743 .1839 .7404
	O8' -.2743 .1839 -.7404
	Ba(C) .0872 0 .3425
	K(B) .4207 0 .7045
	K'(B) -.4207 0 -.7045
	Na(A) -.4134 .2629 -.0012
	Wat1 -.0254 .1129 -.0059
	Wat2 .4732 .1469 .0095
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Note: Predicted ordered structure
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003656
	14.2446 13.7884 15.5 90 116.709 90 I2/m
	atom x y z
	Ti1 .25 .25 .5
	Ti2 0 .226788 .5
	Ti2' .5 .273212 .5
	Si1 .20840 -.11019 .65220
	Si1' .70840 .61019 .65220
	Si2 .17900 .38890 .62450
	Si2' .32100 .11110 .37550
	O1 -.08239 .11602 .41232
	O1' .58239 .61602 .58768
	O2 .60118 .27703 .44901
	OH2' .10118 .22297 .44901
	O3 -.07959 .31889 .40100
	O3' .42041 .18111 .40100
	O4 .23360 .37578 .55420
	O4' .26640 .12422 .44580
	O5 .13378 .5 .61440
	O5' .36622 0 .38560
	O6 .26770 .37210 .73589
	O6' .23230 .12790 .26411
	O7 .24768 0 .64336
	O7' .74768 .5 .64336
	O8 .77440 .68389 .62020
	O8' .27440 -.18389 .62020
	Ba(C) .08710 0 .42120
	WatC .39088 .5 .57539
	Mn(D) .5 .5 .5
	K(B) .42070 0 .60219
	K'(B) -.0793 .5 .60219
	Na(A) .41340 -.26291 .75580
	Wat1 .02540 .11281 .25149
	Wat2 .52682 -.14701 .74534
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	Lemmleinite-Ba
	Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
	American Mineralogist 89 (2004) 1655-1666
	Origin of diffuse superstructure reflections in labuntsovite-group minerals
	Note: Predicted ordered structure
	Locality: Khibiny alkaline complex, Kola peninsula, Russia
	_database_code_amcsd 0003657
	14.2446 13.7884 15.5 90 116.709 90 C2/m
	atom x y z
	Ti1 .75 .75 0
	Ti1' .25 .25 .5
	Ti2 0 .27320 .5
	Ti2' 0 .27320 0
	Si1 .20840 .38980 .65220
	Si1' .20840 .38980 .15220
	Si2 .32100 .38890 .37550
	Si2' .17900 .11110 .12450
	O1 -.08239 .61598 .41230
	O1' .08239 .38402 .08770
	O2 .10121 .27701 .44901
	OH2' .10121 .27701 -.05099
	O3 .07962 .18111 .59901
	O3' .07962 .18111 .09901
	O4 .26638 .37582 .44584
	O4' .23362 .12418 .05416
	O5 .36622 .5 .38558
	O5' -.36622 .5 .11442
	O6 -.23230 .62790 .23588
	O6' .23230 .37210 .26412
	O7 .24773 .5 .64340
	O7' .24773 .5 .14340
	O8 .22561 .183890 .37978
	O8' -.22561 .816110 .12022
	Ba(C) .08710 .5 .42120
	Mn(D) 0 .5 0
	Wat(C) -.10908 .5 .07544
	K(B) .42070 .5 .60220
	K'(B) .57930 .5 .89780
	Na(A) .08660 .26290 .24419
	Wat1 -.02538 .61278 .24854
	Wat2 .02678 .14705 .74534
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	Shafranovskite
	Krivovichev S V, Yakovenchuk V N, Armbruster T, Pakhomovsky Y A,
	Weber H-P, Depmeier W
	American Mineralogist 89 (2004) 1816-1821
	Synchrotron X-ray diffraction study of the structure of shafranovskite,
	K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate
	from Kola peninsula, Russia
	Locality: Kola peninsula, Russia
	_database_code_amcsd 0003660
	14.519 14.519 21.062 90 90 120 P31c
	atom x y z occ Uiso
	Na1 .0681 .5602 .7052 .043
	Na2 .2252 .8230 .7248 .043
	Na3 .9206 .4395 .4498 .096
	K1 .1909 .7494 .4561 .081
	K2 .1464 .9166 .9865 .90 .068
	Mn1 .9629 .7169 .71758 .033
	Mn2 .9150 .2978 .71055 .030
	Mn3 .8563 .8767 .7376 .82 .041
	Mn4 .8092 .4569 .69027 .80 .028
	Si1 .9527 .6271 .5734 .0353
	Si2 0 0 .6080 .033
	Si3 .9511 .8083 .8625 .051
	Si4 .0546 .6703 .8464 .0411
	Si5 .0996 .8621 .5978 .0353
	Si6 .7082 .5229 .5676 .0353
	Si7 .9916 .2923 .8547 .043
	Si8 .8978 .4320 .8288 .0393
	Si9 .0563 .3964 .5849 .0343
	Si10 2/3 1/3 .8197 .038
	Si11 2/3 1/3 .4923 .72 .035
	O1 .0964 .8446 .6737 .041
	O2 .9496 .6004 .6452 .043
	O3 .0464 .3989 .6572 .044
	OH4 .8408 .7411 .6739 .051
	O5 .8824 .9240 .5775 .033
	O6 .6627 .6002 .5506 .050
	OH7 .8156 .5869 .7518 .043
	OH8 .1314 .5110 .5521 .060
	O9 .2125 .8924 .5651 .037
	OH10 .0893 .3668 .8974 .075
	O11 .0655 .6929 .7722 .039
	O12 .7980 .3095 .6395 .067
	O13 .8262 .7504 .8825 .060
	OH14 .1570 .7087 .8844 .065
	OH15 2/3 1/3 .4164 .72 .055
	O16 .9745 .8456 .7891 .068
	O17 .7149 .7277 .7802 .044
	O18 0 0 .6826 .041
	OH19 .0100 .9045 .9110 .069
	OH20 .0076 .5850 .5232 .045
	O21 .0892 .4307 .3646 .046
	O22 .6471 .4233 .5196 .048
	O23 .9856 .7203 .8785 .059
	O24 .7546 .1695 .5481 .046
	Wat25 .4569 .7811 .6385 .086
	O26 .0096 .7536 .5616 .040
	O27 2/3 1/3 .7425 .044
	O28 .9087 .4267 .7557 .040
	O29 .9853 .5450 .8638 .045
	Wat30 .3500 .7967 .7853 .080
	O31 .7811 .4129 .8491 .049
	Wat32 1/3 2/3 .4932 .174
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	Chivruaiite
	Men'shikov Y P, Krivovichev S V, Pakhomovsky Y A, Yakovenchuk V N,
	Ivanyuk G Yu, Mikhailova J A, Armbruster T, Selivanova E A
	American Mineralogist 91 (2006) 922-928
	Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral
	from hydrothermal veins of Khibiny and Lovozero alkaline massifs
	Locality: Chivruai River valley, Kola peninsula, Russia
	_database_code_amcsd 0004161
	7.1918 23.166 6.9472 90 90 90 Cmmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 0 .13883 .2145 .35 .0320 .0165 .0247 .055 0 0 .014
	Sr1 0 .13883 .2145 .025 .0320 .0165 .0247 .055 0 0 .014
	Mn2 .25 .25 .5 .10 .024 .023 .037 .012 .008 0 0
	Ca2 .25 .25 .5 .075 .024 .023 .037 .012 .008 0 0
	K -.856 .5 .5 .05 .120
	Ba -.856 .5 .5 .025 .120
	Ti1 .25 .25 0 .78 .0172 .0224 .0156 .0137 .0067 0 0
	Nb1 .25 .25 0 .22 .0172 .0224 .0156 .0137 .0067 0 0
	Ti2 -.5 .5 .0319 .25 .020 .0171 .0106 .033 0 0 0
	Si1 0 .33852 .27054 .0143 .0173 .0161 .0096 0 0 -.0002
	Si2 .0962 .43567 0 .50 .0155 .0152 .0101 .0211 -.0007 0 0
	O1 0 .5 0 .0235 .024 .011 .035 0 0 0
	O2 0 .3454 .5 .0351 .068 .028 .010 0 0 0
	O3 0 .21976 0 .696 .0192 .014 .016 .028 0 0 0
	OH3 0 .21976 0 .304 .0192 .014 .016 .028 0 0 0
	O4 .1851 .30653 .2009 .0341 .0191 .0407 .043 .0071 -.004 -.027
	O5 0 .40438 .1893 .0350 .067 .0182 .020 0 0 .003
	Wat6 0 .1986 .5 .072 .090 .071 .056 0 0 0
	O7 .3179 .4387 .0420 .25 .024 .013 .020 .040 -.001 .000 .000
	Wat8 -.5 .5 .414 .30 .064
	O9 -.5 .5 .267 .174 .042
	OH9 -.5 .5 .267 .076 .042
	Wat10 0 .5 .5 .34 .13
	Wat11 -.5 .5783 .5 .29 .080
	Wat12 .413 .411 0 .12 .080
	Wat13 -.340 .5686 .425 .19 .080
	Wat14 0 .099 .166 .11 .080
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	Scheuchzerite
	Brugger J, Krivovichev S, Meisser N, Ansermet S, Armbruster T
	American Mineralogist 91 (2006) 937-943
	Scheuchzerite, Na(Mn,Mg)9[VSi9O28(OH)](OH)3, a new single-chain silicate
	Sample: Fianel, Val Ferrera, Central Alps, Switzerland
	_database_code_amcsd 0004162
	9.831 10.107 13.855 86.222 73.383 71.987 P-1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na .131 .4358 .2935 .80 .026
	Mn1 .0757 .8310 .0136 .0085 .0069 .0062 .0068 .0041 .0003 -.0010
	Mn2 .5671 .6937 .1599 .0114 .0094 .0117 .0097 .0018 -.0017 -.0052
	Mn3 .1538 .0823 .5619 .0146 .0151 .0133 .0107 .0019 -.0021 -.0037
	Mn4 .7129 .3634 .1903 .93 .0096 .0104 .0072 .0079 .0012 -.0014 -.0017
	Mg4 .7129 .3634 .1903 .07 .0096 .0104 .0072 .0079 .0012 -.0014 -.0017
	Mn5 .7499 .4835 .9689 .0107 .0104 .0099 .0060 .0037 -.0007 .0005
	Mn6 .3262 .7645 .5880 .0085 .0084 .0105 .0042 .0000 -.0009 -.0009
	Mn7 .4794 .4353 .6140 .84 .0127 .012 .011 .012 -.0022 -.0003 -.0016
	Mg7 .4794 .4353 .6140 .16 .0127 .012 .011 .012 -.0022 -.0003 -.0016
	Mn8 .6306 .1039 .6374 .80 .0111 .0110 .0117 .0061 .0021 -.0010 -.0017
	Mg8 .6306 .1039 .6374 .20 .0111 .0110 .0117 .0061 .0021 -.0010 -.0017
	Mn9 .1425 .9711 .7869 .0126 .0141 .0124 .0048 .0019 .0017 -.0036
	Mg .109 .557 .649 .20 .050
	V1 .8167 .2386 .7693 .89 .010
	V1A .951 .297 .770 .11 .010
	Si1 .4550 .7412 .9501 .0058
	Si2 .2825 .0474 .9656 .0097
	Si3 .0371 .1425 .3656 .0058
	Si4 -.5200 .1836 .2658 .0102
	Si5 .6926 .6304 .5435 .0080
	Si6 .9340 .5555 .1366 .0113
	Si7 .0804 .2371 .1490 .0092
	Si8 .7539 .7385 .3257 .0130
	Si9 .8450 .3251 .5500 .0097
	O1 .3109 .6926 .9527 .007
	OH2 .4944 .4802 .7588 .010
	O3 .5457 .6038 .5341 .010
	O4 -.0682 .2056 .1429 .007
	O5 -.0988 .0925 .3562 .011
	O6 .1432 .0098 .9403 .011
	O7 .6968 .2872 .5556 .012
	OH8 .2692 .5927 .6638 .010
	O9 .9164 .1186 .8378 .016
	O10 -.3615 .1939 .2723 .015
	O11 .7892 .5351 .1161 .010
	OH12 .3811 .9364 .5120 .010
	O13 .1507 .0328 .4170 .010
	O14 .5975 .7299 .3174 .011
	O15 .6667 .1889 .7688 .016
	O16 .5537 .6440 .0175 .013
	O17 .7899 .8761 .3067 .009
	O18 .9266 .2407 .6354 .013
	O19 .7603 .4006 .8198 .019
	O20 .0202 .6468 .0628 .013
	O21 .8117 .4896 .5668 .013
	O22 .0649 .4020 .1387 .012
	O23 .7716 .7015 .4420 .018
	O24 .1109 .1989 .2573 .016
	O25 .3949 .9012 .9902 .019
	O26 .3661 .1245 .8720 .5 .011
	OH26 .3661 .1245 .8720 .5 .011
	O27 .2245 .1509 .0643 .016
	O28 .8894 .6113 .2559 .019
	O29 -.5246 .0258 .2672 .5 .020
	OH29 -.5246 .0258 .2672 .5 .020
	O30 -.0300 .2863 .4368 .017
	O31 .6573 .7324 .6382 .017
	O32 .5579 .7320 .8333 .009
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	Tyrolite
	Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T,
	Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G
	American Mineralogist 91 (2006) 1378-1384
	Crystal chemistry and polytypism of tyrolite
	Sample: Brixlegg, Schwaz, Tyrol, Austria
	Note: Tyrolite-1M polytype
	_database_code_amcsd 0004223
	27.562 5.5682 10.4662 90 98.074 90 P2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .65147 -.2505 .9456 .0153 .0248 .0090 .0129 -.0026 .0052 -.0003
	Cu1 .76399 -.1650 .84020 .0121 .0222 .0096 .0051 .0015 .0041 -.0007
	Cu2 .85745 -.1824 .02406 .0135 .0216 .0124 .0074 .0014 .0049 -.0039
	Cu3 .94819 -.5359 .9187 .0132 .0258 .0069 .0073 .0035 .0041 .0002
	Cu4 .76470 -.4692 .0984 .0123 .0231 .0049 .0102 .0013 .0065 .0025
	Cu5 .0000 .0000 .0000 .0183 .0387 .0088 .0081 .0070 .0055 .0002
	As1 .86524 -.2818 .71749 .0098 .0205 .0037 .0062 .0000 .0052 -.0003
	As2 .69328 -.6964 .79980 .0119 .0238 .0042 .0085 -.0007 .0053 .0000
	O1 .8339 -.294 .8477 .012 .019 .007 .012 .000 .006 -.007
	O2 .8329 -.573 .0938 .016 .016 .012 .021 .002 .006 .002
	O3 .9197 -.585 .2544 .015 .030 .012 .004 -.007 .007 .000
	Wat4 .5928 -.423 .0623 .029 .037 .032 .021 -.010 .014 -.003
	Wat5 .6363 .104 .0679 .034 .045 .016 .043 .002 .012 .007
	O6 .8764 -.011 .1880 .014 .024 .003 .015 .004 .003 -.003
	O7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014
	Wat7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014
	O8 .7032 -.326 .1443 .014 .019 .014 .011 -.001 .013 -.006
	O9 .6352 -.617 .8116 .019 .030 .019 .011 -.002 .013 .000
	OH10 .9807 -.697 .0700 .015 .028 .012 .006 .000 .007 .004
	OH11 .9251 -.270 .0219 .016 .017 .015 .017 .002 .004 -.006
	O12 .7270 -.498 .8955 .020 .040 .009 .009 -.010 .002 -.002
	O13 .7023 .016 .8505 .017 .025 .007 .022 .000 .015 .002
	OH14 .7496 -.210 .6559 .010 .024 .005 .002 -.002 .006 .001
	Wat15 .9704 -.844 .8322 .018 .033 .009 .014 -.001 .007 .007
	OH16 .7863 -.155 .0259 .012 .017 .003 .018 -.002 .004 .002
	Wat17 .8715 .207 .915 .037 .040 .037 .036 .000 .010 .012
	Wat18 .8060 .215 .820 .50 .014
	O19 .5057 -.075 .702 .50 .062
	Wat20 .4945 -.333 .018 .50 .056
	O21 .5303 .068 .885 .50 .070
	C1 .5417 -.050 .791 .38 .022
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	Tyrolite
	Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T,
	Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G
	American Mineralogist 91 (2006) 1378-1384
	Crystal chemistry and polytypism of tyrolite
	Sample: Brixlegg, Schwaz, Tyrol, Austria
	Note: Tyrolite-2M polytype
	_database_code_amcsd 0004224
	54.520 5.5638 10.4647 90 96.432 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .17535 .7487 .1761 .0230 .035 .015 .019 .002 .004 .005
	Cu1 .11904 .1677 .4955 .0158 .017 .016 .016 .0016 .006 .0028
	Cu2 .07184 .8169 .1187 .0150 .019 .018 .009 -.0016 .0044 -.0042
	Cu3 .02610 .5363 .4525 .0141 .024 .004 .014 .0046 .001 -.0005
	Cu4 .11848 .5279 .2534 .0193 .017 .013 .027 .0005 .000 .002
	Cu5 0 0 0 .0206 .032 .011 .019 -.010 .005 -.003
	As1 .06791 .2812 .3060 .0123 .0157 .0067 .014 -.0006 .0008 -.0003
	As2 .15438 .3027 .0029 .0181 .0194 .0092 .026 .0014 .0064 -.0006
	O1 .0830 .294 .455 .012
	O2 .0841 .431 .201 .017
	O3 .0405 .418 .300 .009
	Wat4 .2055 .581 .338 .043
	Wat5 .1829 .108 .286 .043
	O6 .0624 .003 .270 .018
	O7 .2087 .894 .053 .5 .061
	Wat7 .2087 .894 .053 .5 .061
	O8 .1496 .320 .838 .014
	O9 .1836 .378 .062 .028
	OH10 .0092 .301 .074 .028
	OH11 .0378 .274 .577 .022
	O12 .1372 .500 .074 .024
	O13 .1500 .011 .049 .020
	OH14 .1264 .212 .323 .012
	Wat15 .0148 .146 .848 .019
	OH16 .1078 .844 .167 .016
	Wat17 .0652 .202 .001 .10
	Wat18 .0978 .797 .454 .076
	Wat19 .248 .56 .10 .50 .15
	Wat20 .248 .17 .150 .50 .08
	Wat21 .256 .79 .06 .21 .080
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	Armbrusterite
	Yakovenchuk V N, Krivovichev S K, Pakhomovsky Y A, Ivanyuk G Y, Selivanova E A,
	Menshikov Y P, Britvin S N
	American Mineralogist 92 (2007) 416-423
	Armbrusterite, K5Na6Mn3+Mn2+14[Si9O22]4(OH)10*4H2O, a new Mn hydrous
	heterophyllosilicate from the Khibiny alkaline massif, Kola Peninsula, Russia
	Locality: Khibiny alkaline massif, Kola Peninsula, Russia
	_database_code_amcsd 0004282
	17.333 23.539 13.4895 90 115.069 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K1 .210 .9513 .4905 .30 .090
	K2 .505 0 .6035 .28 .072
	K3 0 0 .5 .16 .042
	K5 .9725 .6967 .495 .20 .1
	K6 .815 .6705 .490 .17 .1
	K7 .854 .7263 .479 .17 .1
	K10 .824 .560 .477 .11 .1
	K11 .398 .0665 .485 .12 .1
	Na1 .8465 .14408 .0470 .0294 .0225 .0192 .047 -.0010 .0151 .001
	Na2 .5 .8511 0 .031 .026 .026 .048 0 .024 0
	Mn2+1 0 .06931 0 .0223 .0162 .0150 .0381 0 .0139 0
	Mn2+2 0 .21062 0 .0219 .0153 .0170 .0355 0 .0127 0
	Mn2+3 .32397 .07102 .96233 .0223 .0168 .0157 .0388 -.0003 .0160 -.0005
	Mn2+4 .84790 0 .04652 .0229 .0155 .0178 .0380 0 .0141 0
	Mn3+5 .5 0 0 .0214 .0137 .0181 .0351 0 .0129 0
	Mn2+6 .67138 .78453 .01290 .0230 .0174 .0173 .0395 .0008 .0170 .0011
	Si1 .28669 .06392 .1804 .0203 .0150 .0156 .0345 -.0001 .0144 .0009
	Si2 .85334 .86802 .7929 .0205 .0135 .0166 .0342 .0018 .0128 -.0003
	Si3 .39902 .06387 .7713 .0213 .0138 .0181 .0354 -.0004 .0139 .0000
	Si4 .85790 .74466 .7667 .0222 .0148 .0186 .0346 -.0014 .0117 -.0010
	Si5 .01462 .06473 .2525 .0206 .0167 .0133 .0363 .0009 .0156 .0000
	Si6 .02831 .75457 .7661 .0221 .0165 .0180 .0359 -.0014 .0151 .0008
	Si7 .25042 .85840 .7343 .0209 .0130 .0170 .0340 .0005 .0113 .0006
	Si8 .05700 .14539 .6269 .0206 .0125 .0198 .0319 -.0001 .0117 -.0015
	Si9 .43999 .13157 .2007 .0201 .0124 .0150 .0354 -.0013 .0124 -.0004
	O3 .2454 .0672 .0507 .0234 .018 .016 .041 -.001 .016 -.001
	O5 .4031 .1383 .0717 .0243 .016 .018 .038 .002 .011 -.003
	O6 .2603 .8580 .8579 .0269 .022 .028 .032 -.003 .012 -.002
	O7 .9042 .7291 .8946 .0250 .018 .027 .033 -.004 .014 -.003
	O8 .9465 .0659 .1274 .0238 .022 .016 .037 -.006 .016 -.004
	O9 .9156 .8623 .9180 .0231 .016 .018 .037 -.001 .014 .001
	O10 .4251 .0613 .8999 .0242 .016 .022 .039 .002 .017 -.001
	O11 .0479 0 .2970 .0255 .025 .014 .044 0 .021 0
	O12 .9007 .8973 .7236 .0271 .026 .020 .040 -.004 .019 -.003
	O13 .8129 .8070 .7384 .0237 .019 .012 .038 -.004 .009 .000
	O14 .4644 .1037 .7424 .0244 .023 .017 .035 -.003 .014 .001
	O15 .0671 .7719 .8922 .0259 .019 .028 .032 .002 .012 -.002
	O16 .0597 .6928 .7419 .0236 .022 .021 .033 .002 .017 .003
	O17 .3033 .9103 .7082 .0245 .015 .021 .041 -.002 .015 -.001
	O18 0 .1576 .5 .032 .022 .040 .035 0 .013 0
	O19 .7830 .7004 .6985 .0252 .018 .017 .039 -.004 .011 .002
	O20 .2999 0 .2285 .027 .031 .013 .039 0 .017 0
	O21 .1529 .1329 .6433 .0274 .016 .030 .042 -.001 .017 -.005
	O22 .0547 .1999 .6958 .0315 .030 .025 .044 .002 .021 -.005
	O23 .3814 .0906 .2391 .0290 .018 .033 .035 -.010 .010 .000
	O24 .3989 0 .7223 .0238 .023 .019 .037 0 .020 0
	O26 .9254 .7478 .7106 .0284 .014 .038 .033 -.004 .010 -.002
	O27 .7697 .9067 .7654 .0293 .022 .030 .035 .012 .012 .001
	O28 .9767 .0893 .3356 .0284 .023 .022 .051 -.004 .027 -.001
	OH1 .2409 0 .8736 .0265 .023 .022 .040 0 .018 0
	OH2 .4119 0 .0649 .029 .021 .023 .049 0 .019 0
	OH4 .0899 0 .0692 .027 .024 .022 .038 0 .016 0
	OH25 .7508 .7120 .0734 .0270 .018 .024 .042 .002 .016 .003
	Wat1 0 .652 .5 .35 .1
	Wat2 0 .586 .5 .34 .1
	Wat3 .878 .683 .434 .26 .1
	Wat4 .824 .613 .478 .29 .1
	Wat5 .243 0 .413 .26 .1
	Wat6 .218 0 .509 .26 .1
	Wat7 .8609 0 .3821 .70 .1
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Yakovenchukite-(Y)
	Krivovichev S V, Pakhomovsky Y A, Ivanyuk G Y, Mikhailova J A, Men'shikov Y P,
	Armbruster T, Selivanova E A, Meisser N
	American Mineralogist 92 (2007) 1525-1530
	Yakovenchukite-(Y), K3NaCaY2(Si12O30)(H2O)4, a new mineral from the Khibiny
	massif, Kola Peninsula, Russia: a novel type of octahedral-tetrahedral
	open-framework structure
	Locality: Khibiny massif, Kola Peninsula, Russia
	_database_code_amcsd 0004453
	14.972 14.137 14.594 90 90 90 Pcca
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K1 .5 .2677 .25 .88 .041 .0308 .026 .065 .000 .026 0
	K2 .0896 .2619 .1022 .94 .0384 .0180 .037 .061 .0046 .0013 .0041
	Na .25 .5 .0128 .042 .047 .053 .027 -.014 0 0
	Ca1 .25 0 .0300 .0157 .0096 .020 .017 .0040 0 0
	Ca2 .0392 .244 .006 .06 .013
	Y1 0 .5 .5 .84 .0137 .0103 .0159 .0151 -.0002 .0008 .0006
	Yb1 0 .5 .5 .16 .0137 .0103 .0159 .0151 -.0002 .0008 .0006
	Y2 0 0 .5 .82 .0143 .0099 .0176 .0154 .0008 .0014 .0013
	Yb2 0 0 .5 .18 .0143 .0099 .0176 .0154 .0008 .0014 .0013
	Si1 .1252 .3588 .3440 .0149 .010 .011 .024 -.0004 -.0027 -.0027
	Si2 .1215 .1434 .3510 .0161 .014 .019 .015 -.0007 .0012 -.0013
	Si3 .1699 .6402 .3768 .0169 .0121 .019 .020 -.0023 .0013 -.0023
	Si4 .1759 -.1359 .3717 .0141 .0120 .011 .020 .0003 -.0002 -.0021
	Si5 .0972 -.0264 .2175 .0158 .0144 .017 .016 -.0007 .0003 .0015
	Si6 .1452 .5182 .2019 .0207 .0159 .026 .020 .0008 .0001 -.0009
	O1 0 -.0642 .25 .022 .013 .022 .030 0 -.005 0
	O2 .1407 .6031 .2768 .025 .027 .025 .024 .000 -.004 -.007
	O3 .1150 .0775 .2608 .019 .029 .015 .013 .005 -.005 .007
	O4 .1142 .4183 .2503 .025 .019 .024 .031 -.003 -.008 .006
	O5 .1667 -.1019 .2656 .017 .015 .026 .009 .003 .000 -.006
	O6 .2233 .3810 .3887 .020 .016 .023 .020 -.004 .004 -.009
	O7 .1234 .2500 .3074 .020 .019 .015 .025 -.005 .006 -.004
	O8 .2185 .1219 .4007 .019 .005 .023 .030 -.003 -.003 .000
	O9 .0445 .1289 .4250 .021 .016 .020 .027 -.005 .006 .004
	O10 .0499 .3799 .4176 .020 .015 .030 .016 -.007 .002 -.003
	O11 .1508 .7520 .3767 .022 .013 .019 .035 .003 .003 .004
	O12 .0906 .5452 .1147 .028 .025 .039 .020 -.007 -.007 .002
	O13 .1075 -.0264 .1103 .024 .031 .032 .010 .005 -.004 .005
	O14 .1188 .5910 .4586 .023 .022 .022 .024 -.002 .003 .007
	O15 .25 .5 .1732 .028 .021 .048 .017 -.002 0 0
	O16 .1198 -.0744 .4401 .020 .015 .025 .018 .007 .002 -.005
	Wat17 .4059 .2524 .0825 .057 .069 .038 .064 .008 .002 .009
	Wat18 .2429 .1640 .1046 .041 .035 .059 .030 .020 -.006 .003
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	Eliseevite
	Yakovenchuk V N, Ivanyuk G Y, Krivovichev S V, Pakhomovsky Y A, Selivanova E A,
	Korchak J A, Men'shikov Y P, Drogobuzhskaya S V, Zalkind O A
	American Mineralogist 96 (2011) 1624-1629
	Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate
	from the Lovozero alkaline massif (Kola Peninsula, Russia)
	Locality: the Lovozero alkaline massif, Kola Peninsula, Russia
	Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths
	_database_code_amcsd 0018483
	27.483 8.669 5.246 90 90.782 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na .1655 .1972 -.3797 .75 .0252 .034 .0204 .0211 .0038 .0062 -.0032
	Li 0 .3675 .25 .009 .002 .007 .019 0 .005 0
	Ti .1641 .4057 .1256 .0140 .0177 .0129 .0113 .0002 -.0001 .0007
	Si1 .2659 .5897 .2901 .0124 .0172 .0114 .0087 .0001 -.0003 -.0001
	Si2 .0910 .0990 .0307 .0259 .0234 .0197 .0347 -.0012 -.0006 .0006
	O1 .2070 .5773 .2890 .0148 .020 .015 .0096 -.0013 -.0004 .0002
	O2 .2873 .7602 .2663 .0170 .024 .014 .013 -.0029 -.0039 -.0011
	O3 .1049 .0218 .3022 .048 .036 .044 .065 .001 -.007 .034
	O4 .1331 .4340 .4235 .0165 .019 .020 .010 -.0022 .0024 -.0019
	O5 .2873 .4920 .0490 .0148 .016 .019 .0096 -.0012 .0005 -.0035
	O6 .1219 .2514 -.0083 .021 .030 .019 .015 -.0055 .0008 -.0012
	OH7 .0329 .1310 .0142 .75 .041 .028 .055 .041 .013 .000 .010
	O7 .0329 .1310 .0142 .25 .041 .028 .055 .041 .013 .000 .010
	Wat8 -.0376 .3854 -.049 .144 .106 .105 .222 -.027 .105 -.045
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	Ivanyukite-Na-T
	Yakovenchuk V N, Nikolaev A P, Selivanova E A, Pakhomovsky Y A,
	Korchak J A, Spiridonova D V, Zalkind O A, Krivovichev S V
	American Mineralogist 94 (2009) 1450-1458
	Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu:
	New microporous titanosilicates from the Khibiny massif
	(Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T
	Locality: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia
	_database_code_amcsd 0004993
	10.921 10.921 13.885 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .4793 .2397 .3529 .026 .025 .0233 .029 .0126 .0023 .0011
	Ti2 2/3 1/3 .1747 .033 .027 .027 .045 .0134 .000 .000
	Si .3323 .1661 .1461 .031 .027 .026 .041 .0134 -.014 -.0068
	K 2/3 1/3 .6181 .52 .038
	Na .1974 .3949 .2062 .48 .029
	O1 .3317 .1658 .2665 .037 .012 .044 .045 .006 -.012 -.006
	O2 .2616 .0061 .1036 .033 .034 .026 .035 .013 -.007 -.004
	O3 .4934 .2467 .1031 .030 .027 .020 .045 .013 -.024 -.012
	O4 2/3 1/3 .426 .030 .027 .027 .036 .013 .000 .000
	O5 .5900 .4100 .2750 .038 .039 .039 .041 .023 -.002 .002
	Wat6 .140 .280 .352 .092
	Wat7 .098 .5491 .238 .072
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kukharenkoite-(Ce)
	Krivovichev S V, Filatov S K, Zaitsev A N
	The Canadian Mineralogist 36 (1998) 809-815
	The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation
	based on cation-coordinated F tetrahedra
	_database_code_amcsd 0005546
	13.374 5.1011 6.653 90 106.56 90 P2_1/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba1 .07490 .25 .2900 .0175 .0181 .0172 .0168 0 .0042 0
	Ba2 .41615 .25 .6888 .0170 .0206 .0142 .0152 0 .0034 0
	Ce .76096 .25 .9884 .0146 .0177 .0113 .0142 0 .0036 0
	F .9283 .25 .911 .027 .0320 .0240 .0230 0 .0040 0
	C1 .7259 .25 .509 .018 .0200 .0120 .0210 0 0 0
	C2 .4268 .25 .174 .019 .0240 .0120 .0220 0 .0090 0
	C3 .1273 .25 .794 .019 .0190 .0220 .0160 0 .0040 0
	O1 .1826 .25 .991 .025 .0370 .0200 .0130 0 .0010 0
	O2 .6996 .25 .310 .030 .0380 .0380 .0140 0 .0070 0
	O3 .4899 .25 .358 .024 .0320 .0210 .0170 0 .0030 0
	O4 .3993 .031 .077 .026 .0300 .0190 .0290 -.0030 .0090 -.0050
	O5 .2625 .965 .386 .026 .0320 .0140 .0270 0 0 .0030
	O6 .8969 .970 .300 .025 .0370 .0150 .0220 -.0050 .0040 -.0040
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Umohoite
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 38 (2000) 717-726
	Crystal chemistry of uranyl molybdates. 1. The structure and formula
	of umohoite
	_database_code_amcsd 0005655
	6.3748 7.5287 14.628 82.64 85.95 89.91 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U1 .25592 .80029 .29699 .0088 .0062 .0198 .0003 -.0016 -.0024
	U2 .15158 .29981 .29871 .0086 .0066 .0219 .0003 -.0010 -.0026
	Mo1 .7073 .0575 .2721 .0065 .0121 .0303 .0006 -.0026 -.0036
	Mo2 .7073 .5558 .2724 .0060 .0130 .0335 .0003 -.0026 -.0047
	O1 .640 .804 .2892 .015 .007 .036 -.004 .000 -.009
	O2 .232 .768 .4200 .028 .013 .031 -.002 -.002 -.001
	O3 .993 .590 .2957 .005 .007 .037 .002 -.002 .000
	O4 .769 .300 .2970 .010 .006 .045 -.001 -.002 -.004
	O5 .117 .268 .4233 .031 .018 .024 -.006 -.002 -.003
	O6 .993 .011 .2961 .011 .007 .037 .000 -.002 .001
	O7 .412 .090 .2984 .002 .007 .041 .003 .001 -.007
	O8 .178 .331 .1758 .028 .020 .031 -.002 .001 -.006
	O9 .415 .509 .2993 .003 .013 .043 -.005 -.003 -.004
	O10 .280 .828 .1744 .029 .025 .018 -.001 .001 -.007
	O11 .724 .093 .1546 .022 .035 .032 .002 .002 -.001
	O12 .724 .577 .1556 .023 .046 .024 .008 .000 -.005
	Wat13 .687 .527 .4407 .030 .036 .020 .005 .002 .000
	Wat14 .686 .996 .4421 .032 .040 .031 -.004 .003 .000
	Wat15 .743 .126 -.002 .056 .072 .108 .023 -.018 -.029
	Wat16 .753 .624 .003 .045 .050 .150 .011 .000 -.040
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Iriginite
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 38 (2000) 847-851
	The crystal chemistry of uranyl molybdates. II. the crystal structure
	of iriginite
	_database_code_amcsd 0005691
	6.705 12.731 11.524 90 90 90 Pbcm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .7016 .49398 1/4 .0157 .0138 .0247 .0085 -.0005 0 0
	Mo .1684 .46925 .09234 .0184 .0138 .0329 .0085 .0021 .0005 -.0003
	O(1) .688 .354 1/4 .0330 .0430 .0210 .0350 -.0020 0 0
	O(2) .706 .633 1/4 .0340 .0390 .0160 .0470 .0010 0 0
	O(3) .415 .4975 .1266 .0280 .0190 .0490 .0170 0 .0090 .0020
	O(4) .146 .5098 -.0644 .0190 .0170 .0270 .0130 0 .0070 .0050
	O(5) .055 .480 1/4 .0280 .0270 .0460 .0100 -.0060 0 0
	Wat(6) .140 .6556 .1212 .0260 .0410 .0160 .0210 -.0070 .0010 0
	O(7) .169 .3369 .0819 .0320 .0460 .0310 .0190 .0080 .0020 -.0080
	Wat(8) .448 3/4 0 .0500 .0290 .0410 .0800 0 0 .0150
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Mitryaevaite
	Cahill C L, Krivovichev S V, Burns P C, Bekenova G K, Shabanova T A
	The Canadian Mineralogist 39 (2001) 179-186
	The crystal structure of mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8*6.48H2O,
	determined from a microcrystal using synchrotron radiation
	_database_code_amcsd 0005711
	6.918 10.127 10.296 77.036 73.989 76.272 P-1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Al1 .0218 .3840 .2142 .0005 .0008 .0018 .0000 -.0005 .0000
	Al2 0 0 0 .0001 .0008 .0018 .0001 -.0004 -.0001
	Al3 .4982 .8020 -.0738 .0002 .0009 .0020 .0000 -.0003 -.0001
	P1 .1243 .0573 .2564 .0006 .0008 .0016 .0000 -.0004 .0000
	P2 .1069 .6704 .0400 .0002 .0007 .0017 .0000 -.0004 .0000
	O1 -.0034 .1999 .2799 .0009 .0009 .0024 .0001 -.0001 -.0001
	O2 .3454 .0664 .1784 .0002 .0012 .0023 -.0003 -.0001 .0000
	O3 .0258 -.0150 .1817 .0011 .0017 .0022 -.0006 -.0007 -.0002
	OH4 .1316 -.0337 .3988 .0015 .0018 .0016 .0001 -.0004 .0005
	O5 -.1234 .3940 .0844 .0008 .0014 .0019 -.0001 -.0004 -.0004
	O6 .0238 .5749 .1723 .0007 .0010 .0017 -.0003 -.0002 .0001
	O7 -.0347 .8131 .0391 .0001 .0009 .0026 -.0001 -.0005 -.0002
	O8 .3250 .6843 .0387 .0002 .0013 .0022 -.0001 -.0006 .0001
	OH9 .2793 .3420 .0948 .0002 .0012 .0022 .0000 .0001 .0000
	F .2780 .9466 -.0573 .0003 .0011 .0029 .0000 -.0003 -.0001
	Wat10 .5552 .8235 .0932 .0012 .0014 .0021 -.0001 -.0005 -.0003
	Wat11 -.2358 .4312 .3462 .0010 .0017 .0023 .0000 .0001 -.0001
	Wat12 .1615 .3754 .3604 .0021 .0026 .0026 -.0008 -.0013 .0000
	Wat13 .4266 .7855 -.2399 .0013 .0026 .0025 -.0006 -.0006 -.0005
	Wat14 .1449 .2532 .6258 .0037 .0034 .0026 -.0011 .0003 -.0006
	Wat15 -.5917 .5645 .2907 .0027 .0034 .0037 -.0008 -.0017 .0006
	Wat16 .4210 -.2521 .4478 .0035 .0031 .0049 .0008 .0007 .0014
	Wat17 .5 0 .5 .48 .0140 .0093 .0180 -.0005 -.0120 -.0033
	H1 -.5920 .6340 .3210 .0017
	H2 .4820 .8930 .1350 .0035
	H3 .1420 .3190 .6850 .0021
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	Na6[(UO2)2O(MoO4)4]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 39 (2001) 197-206
	Crystal chemistry of uranyl molybdates. III. New structural themes
	in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]
	_database_code_amcsd 0005713
	7.637 8.164 8.746 72.329 79.364 65.795 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .21256 .92437 .31422 .0063 .0055 .0075 .0061 -.0031 .0005 -.0017
	Mo(1) .9372 .4135 .35573 .0075 .0063 .0080 .0067 -.0026 -.0016 .0008
	Mo(2) .4451 .2474 .0140 .0096 .0097 .0102 .0076 -.0054 .0007 .0011
	Na(1) .4562 .3998 .3463 .0182 .016 .015 .023 -.007 -.001 -.002
	Na(2) .2695 .0953 .6555 .0193 .019 .012 .021 -.004 -.002 .002
	Na(3) -.0551 .2465 -.0116 .021 .032 .017 .014 -.007 -.004 -.006
	O(1) .393 .936 .4189 .017 .022 .009 .018 -.003 -.007 -.001
	O(2) .043 .908 .2028 .014 .011 .010 .023 -.004 -.005 -.004
	O(3) .549 .2974 -.1891 .012 .015 .011 .010 -.007 .003 .000
	O(4) .855 .6369 .2286 .014 .016 .008 .016 -.006 .000 .000
	O(5) .324 .083 .0685 .015 .014 .016 .013 -.009 .003 -.001
	O(6) .150 .358 .4448 .019 .013 .015 .025 -.006 -.003 .001
	O(7) .745 .3670 .4956 .011 .012 .012 .009 -.009 .006 -.002
	O(8) .004 .261 .2316 .015 .021 .011 .014 -.008 .001 -.001
	O(9) .282 .454 .0514 .022 .019 .017 .025 -.005 .005 -.007
	O(10) .621 .179 .147 .022 .021 .026 .021 -.012 -.013 .004
	O(11) 0 0 1/2 .051 .06 .017 .020 .024 .015 .010
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	Na6[(UO2)(MoO4)4]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 39 (2001) 197-206
	Crystal chemistry of uranyl molybdates. III. New structural themes
	in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]
	_database_code_amcsd 0005714
	7.0958 9.566 13.415 73.692 86.621 82.940 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .07313 .81676 .32694 .0138 .0160 .0145 .0117 -.0029 .0001 -.0047
	Mo(1) .52738 .49016 .67448 .0179 .0149 .0202 .0194 .0004 .0002 -.0081
	Mo(2) .23814 .90941 .56699 .0180 .0236 .0170 .0141 .0019 -.0027 -.0066
	Mo(3) -.34364 .98742 .15007 .0186 .0169 .0231 .0146 -.0026 -.0020 -.0029
	Mo(4) -.07375 .37198 .90483 .0217 .0219 .0322 .0151 -.0105 .0032 -.0109
	Na(1) .0239 .5886 .6129 .0338 .022 .031 .057 -.006 .003 -.026
	Na(2) .3959 .2488 .5616 .0270 .023 .037 .021 -.006 .004 -.009
	Na(3) -.2080 .3176 .1605 .0317 .040 .033 .022 -.002 -.007 -.006
	Na(4) -.1878 .9665 -.0725 .0386 .033 .059 .022 -.009 -.001 -.005
	Na(5) -.2730 .7915 .7202 .0403 .028 .051 .056 -.002 -.002 -.039
	Na(6) -.5726 .3404 .9682 .0395 .027 .040 .050 -.013 -.005 -.005
	O(1) .0025 .6443 .4051 .022 .028 .016 .024 -.008 .005 -.009
	O(2) .1169 .0919 .5429 .020 .025 .014 .019 .001 .002 -.006
	O(3) .2681 .8459 .4537 .023 .022 .033 .017 .001 -.003 -.013
	O(4) .1350 .9946 .2517 .023 .033 .018 .019 -.008 .001 -.002
	O(5) -.2430 .8813 .2730 .024 .017 .034 .018 .002 -.004 -.002
	O(6) -.2779 .3982 .9801 .026 .025 .034 .018 -.005 .003 -.006
	O(7) .6918 .6165 .6200 .028 .020 .022 .041 -.003 .002 -.007
	O(8) -.0887 .2449 .8294 .032 .037 .041 .025 -.010 .001 -.021
	O(9) .4437 .5125 .7943 .034 .039 .035 .029 .005 .001 -.013
	O(10) .6305 .3051 .6876 .026 .025 .023 .030 -.002 .002 -.007
	O(11) .1138 .3069 .9905 .034 .031 .043 .034 -.010 -.001 -.019
	O(12) -.0344 .5427 .8164 .044 .057 .050 .027 -.024 .015 -.011
	O(13) -.5086 .1351 .1584 .038 .049 .036 .024 .011 .003 -.005
	O(14) .3398 .5212 .5901 .030 .022 .043 .026 .002 -.003 -.013
	O(15) -.4496 .8769 .0919 .037 .054 .035 .023 -.008 -.017 -.004
	O(16) .1133 .7919 .6647 .032 .057 .019 .019 -.005 .002 -.002
	O(17) -.1589 .0626 .0699 .034 .020 .042 .027 -.007 .000 .013
	O(18) .4636 .9067 .6101 .039 .038 .052 .034 .011 -.020 -.026
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	K6[(UO2)2O(MoO4)4]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 39 (2001) 197-206
	Crystal chemistry of uranyl molybdates. III. New structural themes
	in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]
	_database_code_amcsd 0005715
	7.8282 7.8298 10.302 83.893 73.131 80.338 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .21675 .48425 .31435 .0196 .0172 .0258 .0138 -.0055 .0028 -.0085
	Mo(1) .3649 .7436 -.0340 .0181 .0182 .0190 .0140 -.0009 .0002 -.0043
	Mo(2) -.1510 .8456 .3938 .0238 .0234 .0225 .0207 -.0008 .0006 -.0031
	K(1) .8381 .7060 .0294 .0340 .037 .025 .036 .003 -.005 -.011
	K(2) .2735 .6026 -.3421 .0308 .033 .030 .026 -.004 -.001 -.006
	K(3) .6072 .0678 -.2778 .0318 .029 .027 .035 -.004 -.000 -.010
	O(1) .069 .447 .218 .031 .021 .037 .040 -.004 -.012 -.018
	O(2) .373 .535 .398 .034 .038 .056 .022 -.024 -.017 -.008
	O(3) .405 .645 .120 .024 .024 .029 .017 .003 -.009 .004
	O(4) -.272 .755 .307 .036 .029 .052 .030 .001 -.012 -.012
	O(5) -.225 .797 .573 .036 .042 .031 .027 .002 .001 -.005
	O(6) .564 .718 -.168 .037 .034 .021 .038 .013 .013 -.011
	O(7) .084 .782 .3188 .027 .026 .025 .025 -.006 .000 -.002
	O(8) .200 .653 -.072 .035 .026 .051 .032 -.005 -.016 -.002
	O(9) .300 .962 -.013 .038 .044 .021 .042 .007 -.007 -.004
	O(10) -.202 .066 .374 .049 .051 .032 .052 .005 -.003 .006
	O(11) 0 1/2 1/2 .060 .063 .045 .049 -.010 .029 -.021
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs2[(UO2)6(MoO4)7(H2O)2]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 39 (2001) 207-214
	Crystal chemistry of uranyl molybdates. IV. The structures of
	M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)
	_database_code_amcsd 0005716
	13.990 10.808 25.671 90 90 90 Pbcm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cs1 -.3817 -1/4 1/2 .0224 .034 .0158 .0178 0 0 -.0020
	Cs2 .1447 -.2682 .1850 .064 .066 .034 .091 -.017 .018 -.033
	U1 .13221 .09692 1/4 .0165 .0204 .0180 .0112 -.0046 0 0
	U2 -.36884 -.57221 .41534 .0115 .0122 .0095 .0129 .0004 -.0012 -.0001
	U3 -.13429 -.06128 .42750 .0137 .0137 .0128 .0144 -.0006 .0005 .0009
	U4 -.39274 -.98710 1/4 .0147 .0211 .0128 .0103 .0004 0 0
	Mo1 -.1712 1/4 1/2 .0147 .011 .014 .019 0 0 .0018
	Mo2 -.39019 -.9156 .40159 .0120 .0147 .0102 .0110 -.0018 .0008 -.0010
	Mo3 -.3347 -.2612 .34624 .0123 .0146 .0117 .0105 .0001 .0010 .0006
	Mo4 .10653 .0810 .40084 .0147 .0137 .0147 .0156 -.0018 .0026 .0006
	O1 -.271 -.001 1/4 .023
	O2 -.4281 -.7723 .4305 .011
	O3 -.1153 -.0157 .3620 .017
	O4 -.3882 -.5203 .4806 .019
	O5 -.1612 -.1115 .4922 .023
	O6 -.517 -.970 1/4 .027
	O7 -.3466 -.6245 .3501 .019
	O8 -.2743 -.9445 .4259 .017
	O9 -.1031 .1395 .4667 .017
	O10 -.4037 -.1573 .3090 .020
	O11 .2293 .0512 .4084 .020
	O12 -.3775 -.8988 .3336 .018
	O13 .0777 .2384 .4127 .021
	O14 -.2695 -.1788 .3940 .020
	O15 -.2549 -.3328 .3043 .021
	O16 -.4610 -.0474 .4138 .012
	O17 -.4084 -.3714 .3778 .017
	O18 -.2420 .180 .5488 .025
	Wat19 -.036 .008 1/4 .036
	O20 .0332 -.0271 .4343 .010
	Wat21 -.369 -.754 1/4 .028
	O22 .0805 .0588 .3344 .031
	O23 .075 .242 1/4 .036
	O24 .185 -.052 1/4 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	(NH4)2[(UO2)6(MoO4)7(H2O)2]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 39 (2001) 207-214
	Crystal chemistry of uranyl molybdates. IV. The structures of
	M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)
	_database_code_amcsd 0005717
	13.970 10.747 25.607 90 90 90 Pbcm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NH4_1 -.395 -1/4 1/2 .042
	NH4_2 -.152 -.778 .3031 .045
	U1 .13485 .09365 1/4 .0204 .0247 .0179 .0184 -.0057 0 0
	U2 -.36907 -.56850 .41631 .0147 .0155 .0114 .0171 .0004 -.0013 .0000
	U3 -.13501 -.05950 .42683 .0167 .0169 .0135 .0195 -.0014 .0002 .0019
	U4 -.39610 -.98456 1/4 .0174 .0229 .0143 .0149 .0010 0 0
	Mo1 -.1714 1/4 1/2 .0169 .0138 .0126 .0244 0 0 .0025
	Mo2 -.39167 -.91311 .40233 .0152 .0178 .0121 .0157 -.0021 .0019 -.0011
	Mo3 -.33638 -.25915 .34638 .0156 .0181 .0122 .0167 .0004 .0019 .0011
	Mo4 .10636 .08069 .40006 .0180 .0161 .0163 .0214 -.0020 .0018 .0028
	O1 -.2701 -.002 1/4 .026
	O2 -.4305 -.7729 .4328 .018
	O3 -.1147 -.0092 .3617 .027
	O4 -.3875 -.5088 .4796 .024
	O5 -.1607 -.1095 .4913 .026
	O6 -.5234 -.970 1/4 .021
	O7 -.3469 -.6274 .3527 .023
	O8 -.2746 -.9381 .4250 .024
	O9 -.1020 .1386 .4657 .021
	O10 -.4055 -.1549 .3082 .028
	O11 .2310 .0522 .4075 .026
	O12 -.3815 -.8961 .3348 .028
	O13 .0784 .2388 .4112 .032
	O14 -.2714 -.1762 .3942 .021
	O15 -.2546 -.3295 .3041 .031
	O16 -.4624 -.0465 .4148 .016
	O17 -.4096 -.3715 .3784 .023
	O18 -.2437 .1767 .5474 .030
	Wat19 -.030 -.002 1/4 .042
	O20 .0339 -.0267 .4336 .019
	Wat21 -.3751 -.750 1/4 .028
	O22 .0805 .0531 .3344 .041
	O23 .078 .241 1/4 .044
	O24 .190 -.055 1/4 .038
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Na2[(UO2)(MoO4)2]
	Krivovichev S V, Finch R J, Burns P C
	The Canadian Mineralogist 40 (2002) 193-200
	Crystal chemistry of uranyl molybdates. V. Topologically distinct
	uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2]
	and K2[(UO2)(MoO4)2](H2O)
	_database_code_amcsd 0005763
	7.2298 11.3240 12.0134 90 90 90 P2_12_12_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .82238 .76038 .23117 .0177 .0125 .0285 .0121 .0009 -.00 .0008
	Mo(1) .3355 .71338 .09927 .0214 .0106 .0396 .0141 .0019 -.0003 -.0027
	Mo(2) .5802 .66610 .48552 .0206 .0159 .0279 .0179 -.0016 .0019 .0000
	Na(1) .5822 .9483 .5702 .034 .032 .031 .041 -.005 -.009 -.003
	Na(2) .4098 .9395 .3055 .044 .049 .045 .038 .022 -.003 -.011
	O(1) .790 .6035 .2488 .026 .029 .022 .027 .004 -.004 -.002
	O(2) .853 .9156 .2153 .030 .026 .030 .034 -.004 .002 .003
	O(3) .395 .5652 .0950 .044 .027 .063 .042 .004 -.001 -.003
	O(4) .5156 .7372 .6135 .026 .021 .042 .016 -.005 .007 .000
	O(5) .6318 .7830 .3881 .025 .014 .038 .023 .006 .009 .003
	O(6) .311 .7666 -.0375 .047 .033 .091 .017 .007 .006 -.002
	O(7) .775 .5805 .5097 .033 .026 .041 .032 .009 .002 .004
	O(8) .402 .5806 .4337 .043 .036 .041 .052 -.013 -.003 -.001
	O(9) .5100 .7949 .1727 .031 .013 .052 .029 .004 -.010 .005
	O(10) .1256 .731 .1719 .054 .015 .101 .047 .014 .011 -.015
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	K2[(UO2)(MoO4)2](H2O)
	Krivovichev S V, Finch R J, Burns P C
	The Canadian Mineralogist 40 (2002) 193-200
	Crystal chemistry of uranyl molybdates. V. Topologically distinct
	uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2]
	and K2[(UO2)(MoO4)2](H2O)
	_database_code_amcsd 0005764
	7.893 10.907 13.558 90 98.70 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .47673 .74106 .14526 .0198 .0258 .0194 .0146 .00 .00 -.00
	Mo(1) .5111 .60157 -.09570 .0221 .0356 .0174 .0143 -.0022 .0075 -.0001
	Mo(2) .7606 .95588 -.14068 .0217 .0260 .0202 .0194 .0010 .0055 -.0008
	K(1) .2420 .9161 -.1276 .091 .098 .098 .076 .014 .009 .002
	K(2) .9363 .6679 .0946 .100 .062 .147 .089 .011 .007 .000
	O(1) .4234 .4488 -.0834 .022 .031 .019 .016 .004 .005 .003
	O(2) .429 .7235 -.0303 .035 .062 .026 .015 .016 .002 .001
	O(3) .280 .6679 .1561 .036 .027 .042 .041 -.005 .014 -.006
	O(4) .671 .0829 -.0827 .033 .051 .028 .016 .013 -.001 -.000
	O(5) .675 .8148 .1392 .035 .038 .033 .036 -.005 .012 -.001
	O(6) .432 .6336 -.2214 .034 .059 .028 .015 -.013 .008 -.004
	O(7) .868 .8709 -.0442 .037 .039 .038 .034 .005 .004 -.002
	O(8) .598 .8628 -.2118 .035 .050 .029 .026 -.007 -.001 .001
	O(9) .731 .6029 -.0853 .033 .034 .034 .033 -.004 .010 .000
	O(10) .910 .9994 -.2150 .047 .043 .060 .042 .005 .020 .019
	Wat11 .979 .209 -.311 .084
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs4[(UO2)3O(MoO4)2(MoO5)]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 40 (2002) 201-209
	Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in
	the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4]
	_database_code_amcsd 0005765
	7.510 7.897 9.774 79.279 81.269 87.251 P1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .01499 .85419 .80084 .0126 .0160 .0131 .0086 -.0009 -.0030 -.0008
	U(2) -.02434 .01907 .14717 .0118 .0162 .0090 .0104 -.0006 -.0030 -.0017
	U(3) -.01698 .53349 .15619 .0111 .0148 .0084 .0103 -.0001 -.0034 -.0014
	Mo(1) -.0832 .1966 .4992 .0150 .0192 .0139 .0116 -.0006 -.0044 .0005
	Mo(2) -.1489 .3483 .8845 .0166 .0262 .0107 .0147 .0011 -.0095 -.0022
	Mo(3) .2000 .7235 .4407 .0131 .0127 .0163 .0105 -.0001 -.0031 -.0020
	Cs(1) -.5249 .2528 .2754 .0251 .0231 .0212 .0325 .0024 -.0085 -.0056
	Cs(2) -.3163 .7101 .5148 .0313 .0181 .0458 .0304 -.0049 -.0070 -.0043
	Cs(3) .4843 .7837 .0417 .0269 .0182 .0338 .0266 -.0004 -.0035 .0000
	Cs(4) .3548 .2762 .7544 .0456 .0357 .057 .0424 -.0170 -.0091 .0010
	O(1) -.258 .966 .193 .021 .021 .017 .027 -.004 -.006 -.002
	O(2) .219 .487 .109 .022 .021 .024 .023 .000 -.003 -.009
	O(3) -.048 .125 .906 .022 .037 .014 .017 -.003 -.008 -.005
	O(4) -.253 .578 .216 .024 .025 .022 .024 .006 -.001 -.005
	O(5) .259 .854 .791 .022 .013 .039 .012 .006 -.001 -.002
	O(6) .054 .731 .601 .021 .027 .021 .017 .000 -.004 -.008
	O(7) .073 .740 .293 .015 .018 .014 .013 .000 -.008 .002
	O(8) .050 .101 .630 .017 .025 .012 .012 -.005 -.004 .004
	O(9) .332 .540 .462 .030 .029 .028 .034 .013 -.013 -.008
	O(10) -.221 .862 .793 .020 .013 .026 .026 .002 -.007 -.016
	O(11) -.104 .291 .113 .018 .023 .014 .019 -.003 -.006 -.003
	O(12) -.031 .546 .902 .021 .039 .006 .018 .001 -.010 .001
	O(13) -.043 .050 .382 .040 .08 .025 .014 .003 -.009 -.002
	O(14) .006 .801 .029 .019 .037 .010 .009 -.001 -.002 -.001
	O(15) -.133 .385 .703 .044 .10 .014 .019 -.004 -.025 -.001
	O(16) .350 .890 .405 .025 .024 .030 .017 -.012 -.001 .007
	O(17) -.009 .394 .396 .028 .05 .020 .015 -.007 -.012 .003
	O(18) .212 .070 .105 .025 .024 .013 .033 -.003 -.003 .008
	O(19) -.376 .356 .939 .041 .023 .04 .06 -.004 -.016 -.008
	O(20) -.310 .200 .549 .043 .023 .07 .024 -.011 -.005 .013
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs6[(UO2)(MoO4)4]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 40 (2002) 201-209
	Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in
	the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4]
	_database_code_amcsd 0005766
	11.613 12.545 14.466 102.713 95.281 106.182 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .49766 .75078 .49960 .0191 .0199 .0213 .0175 .0082 .0044 .0050
	U(2) 0 0 0 .0199 .0195 .0180 .0233 .0068 .0044 .0059
	Mo(1) .8026 .1934 -.0250 .0216 .0170 .0237 .0258 .0081 .0043 .0075
	Mo(2) .8005 .6884 -.0265 .0222 .0179 .0202 .0285 .0052 .0032 .0073
	Mo(3) .5975 .2177 .2468 .0255 .0307 .0286 .0168 .0093 .0043 .0044
	Mo(4) .1605 .6623 .4213 .0272 .0215 .0351 .0244 .0071 .0035 .0086
	Mo(5) .5803 .7158 .2440 .0272 .0345 .0304 .0176 .0120 .0056 .0050
	Mo(6) .1692 .1766 .4394 .0262 .0226 .0299 .0272 .0073 .0045 .0103
	Cs(1) .62409 .91593 .05655 .0270 .0218 .0336 .0253 .0086 .0032 .0071
	Cs(2) .37111 .58264 -.06254 .0272 .0238 .0303 .0279 .0088 .0059 .0073
	Cs(3) .62299 .07383 -.29694 .0346 .0294 .0348 .0360 .0076 .0016 .0058
	Cs(4) .62220 .58160 -.29980 .0347 .0292 .0374 .0375 .0096 .0038 .0110
	Cs(5) .96117 .26020 .25343 .0359 .0306 .0486 .0296 .0137 .0041 .0108
	Cs(6) .96309 .8327 .25071 .0398 .0356 .0508 .0317 .0185 .0059 .0013
	Cs(7) .22546 .96973 .58646 .0349 .0370 .0333 .0377 .0143 .0101 .0096
	Cs(8) .2137 .47257 .59664 .0384 .0432 .0319 .0376 .0105 .0067 .0049
	Cs(9) .0696 .55393 .13668 .0400 .0552 .0320 .0350 .0181 .0016 .0097
	O(1) .0619 .0454 .1291 .020 .025 .029 .007 .010 -.008 .005
	O(2) .8702 .1041 .0338 .032 .036 .036 .034 .019 .005 .020
	O(3) .4418 .8727 .5200 .038 .033 .048 .037 .023 .009 .006
	O(4) .3072 .1330 .4265 .038 .040 .048 .022 .018 -.002 .000
	O(5) .8578 .6133 .0441 .041 .036 .029 .06 .016 .001 .012
	O(6) .3046 .6324 .4239 .040 .041 .042 .039 .014 .019 .009
	O(7) .8638 .8423 .0233 .028 .018 .028 .030 -.002 .003 .005
	O(8) .5523 .6297 .4799 .037 .046 .028 .036 .014 .009 .000
	O(9) .8620 .3381 .0389 .031 .038 .019 .030 .004 .004 .001
	O(10) .8395 .6504 -.1399 .038 .034 .043 .030 .013 .011 -.008
	O(11) .5427 .7811 .3594 .036 .039 .044 .029 .014 .018 .011
	O(12) .1784 .3004 .4006 .032 .025 .034 .035 .004 -.002 .012
	O(13) .5498 .2783 .3569 .038 .044 .043 .035 .016 .017 .019
	O(14) .618 .594 .245 .060 .09 .052 .05 .044 .012 .010
	O(15) .649 .1451 -.0298 .041 .043 .046 .039 .018 .013 .012
	O(16) .6475 .6480 -.032 .048 .030 .037 .07 .004 .017 .010
	O(17) .8394 .1883 -.1398 .038 .038 .046 .033 .016 .015 .011
	O(18) .1461 .203 .5597 .043 .036 .064 .034 .016 .010 .020
	O(19) .0406 .070 .369 .053 .021 .053 .07 .000 -.004 .016
	O(20) .702 .815 .2184 .048 .040 .061 .06 .025 .021 .028
	O(21) .1673 .778 .3735 .045 .030 .064 .052 .008 .006 .043
	O(22) .480 .192 .1557 .065 .063 .11 .021 .033 -.006 .005
	O(23) .455 .686 .154 .079 .10 .10 .024 .04 -.024 -.007
	O(24) .7250 .3222 .2285 .040 .041 .035 .041 .005 .013 .007
	O(25) .639 .095 .2492 .062 .14 .040 .037 .057 .042 .012
	O(26) .124 .6905 .5356 .041 .057 .032 .037 .021 .009 .006
	O(27) .047 .5442 .342 .054 .034 .043 .07 .003 .008 -.011
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cerite-(La)
	Pakhomovsky Y A, Men'shikov Y P, Yakovenchuk V N, Ivanyuk G Y,
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 40 (2002) 1177-1184
	Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral
	from the Khibiny Alkaline Massif: Occurrence and crystal structure
	Locality: Khibina alkaline massif, Kola Peninsula, Russia
	_database_code_amcsd 0005786
	10.7493 10.7493 38.318 90 90 120 R3c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	La(1) .25867 .13428 .068094 .47 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	Ce(1) .25867 .13428 .068094 .29 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	Ca(1) .25867 .13428 .068094 .15 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	Sr(1) .25867 .13428 .068094 .04 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	Nd(1) .25867 .13428 .068094 .02 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	Pr(1) .25867 .13428 .068094 .01 .0139 .0160 .0150 .0120 .0086 .0000 -.0009
	La(2) .14209 .26126 .43210 .47 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	Ce(2) .14209 .26126 .43210 .29 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	Ca(2) .14209 .26126 .43210 .15 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	Sr(2) .14209 .26126 .43210 .04 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	Nd(2) .14209 .26126 .43210 .02 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	Pr(2) .14209 .26126 .43210 .01 .0195 .0164 .0269 .0183 .0131 .0036 .0087
	La(3) .25878 .13436 .17585 .47 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Ce(3) .25878 .13436 .17585 .29 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Ca(3) .25878 .13436 .17585 .15 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Sr(3) .25878 .13436 .17585 .04 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Nd(3) .25878 .13436 .17585 .02 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Pr(3) .25878 .13436 .17585 .01 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048
	Si(1) .3184 .1485 .36239 .0129 .0073 .0160 .0140 .0051 -.0002 .0001
	O(1) .2562 .0915 .3228 .0330 .0280 .0560 .0110 .0180 -.0040 -.0120
	O(2) .2781 .0026 .3850 .0160 .0120 .0160 .0190 .0060 .0040 .0020
	O(3) .2625 .2513 .3784 .0200 .0150 .0200 .0220 .0060 .0070 .0050
	O(4) .0817 .1730 .0295 .0167 .0160 .0160 .0230 .0110 .0000 -.0030
	Si(2) .1504 .3257 .13689 .0173 .0150 .0234 .0126 .0089 -.0003 .0005
	O(5) .2448 .2711 .1162 .0240 .0220 .0310 .0220 .0150 .0010 -.0100
	O(6) -.0105 .2701 .1224 .0210 .0240 .0250 .0130 .0110 -.0030 .0000
	O(7) .1668 .0742 .4664 .0168 .0140 .0160 .0200 .0080 .0010 .0010
	O(8) .1375 .2815 .1782 .0212 .0240 .0230 .0120 .0080 -.0030 .0000
	FeM 0 0 -.00168 .32 .0137 .0135 .0135 .0140 .0068 0 0
	CaM 0 0 -.00168 .30 .0137 .0135 .0135 .0140 .0068 0 0
	MgM 0 0 -.00168 .23 .0137 .0135 .0135 .0140 .0068 0 0
	Si(3) 0 0 .2520 .90 .0125 .0111 .0111 .0150 .0055 0 0
	O(9) .1597 .0338 .2400 .0300 .0180 .0420 .0310 .0160 -.0040 -.0110
	OH(10) 0 0 .2961 .0100
	OH(11) 0 0 .0897 .0160 .0700 .0070 .0330 .0040 0 0
	OH(12) 0 0 .1600 .0210 .0120 .0120 .0390 .0060 0 0
	OH(13) 0 0 .4090 .0350 .0290 .0290 .0450 .0150 0 0
	Ca 0 0 .3092 .10 .0100
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Melanothallite
	Krivovichev S V, Filatov S K, Burns P C
	The Canadian Mineralogist 40 (2002) 1185-1190
	The cuprite-like framework of OCu4 tetrahedra in the crystal structure
	of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion
	_database_code_amcsd 0005787
	7.4691 9.5969 9.700 90 90 90 *Fddd
	.125 .125 .125
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu 0 0 1/2 .0140 .0179 .0130 .0110 -.0026 -.0008 -.0006
	Cl 1/8 1/8 .32431 .0213 .0289 .0220 .0131 -.0087 0 0
	O 1/8 1/8 5/8 .0127 .0167 .0119 .0094 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	(UO2)Mo2O7(H2O)2
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 40 (2002) 1571-1577
	Crystal chemistry of uranyl molybdates. VII. An iriginite-type sheet of
	polyhedra in the structure of [(UO2)Mo2O7(H2O)2]
	_database_code_amcsd 0005794
	35.071 6.717 11.513 90 90.069 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U1 0 .7931 1/4 .0137 .022 .010 .009 0 -.002 0
	U2 .16654 .2926 .9170 .0126 .0217 .0084 .0077 .0018 -.0018 -.000
	Mo1 .1587 .1738 .2598 .020 .048 .005 .007 .002 -.006 -.001
	Mo2 .0088 .6744 .9072 .0119 .018 .011 .007 -.002 .001 .001
	Mo3 .1750 .1731 .5742 .0161 .030 .010 .009 -.002 -.004 .000
	O1 .2164 .305 .914 .032
	O2 .1686 .153 .102 .019
	O3 -.0495 .797 .257 .022
	O4 0 .564 3/4 .008
	O5 .1636 .071 .417 .014
	Wat6 -.0594 .627 .897 .031
	O7 .1082 .152 .256 .030
	O8 .2239 .153 .580 .026
	O9 .0557 .682 .905 .017
	O10 .1669 .427 .295 .034
	O11 .1639 .419 .540 .015
	O12 .0056 .924 .869 .023
	O13 .1143 .290 .928 .022
	Wat14 .1079 .128 .565 .014
	O15 -.0061 .648 .068 .000
	O16 .1681 .144 .731 .022
	Wat17 .2238 .170 .266 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Burnsite
	Burns P C, Krivovichev S V, Filatov S K
	The Canadian Mineralogist 40 (2002) 1587-1595
	New Cu coordination polyhedra in the crystal structure of burnsite,
	KCdCu7O2(SeO3)2Cl9
	_database_code_amcsd 0005796
	8.7805 8.7805 15.521 90 90 120 P6_3/mmc
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 1/4 .0609 .080 .080 .023 .0398 0 0
	Cd 0 0 0 .0205 .0212 .0212 .0192 .0106 0 0
	Cu(1) -.45264 -.54736 .09057 .0157 .0200 .0200 .0137 .0150 -.0013 .0013
	Cu(2) 2/3 1/3 1/4 .0134 .0169 .0169 .0063 .0085 0 0
	Se 1/3 2/3 .09730 .0131 .0147 .0147 .0099 .0073 0 0
	O(1) 2/3 1/3 .1267 .0112 .012 .012 .010 .0058 0 0
	O(2) -.5696 -.1392 .0447 .0210 .026 .011 .021 .0053 -.0005 -.001
	Cl(1) -.13697 -.2739 .10178 .0402 .0571 .0221 .0299 .0110 .0020 .0041
	Cl(2) -.4945 -.5055 1/4 .0352 .0433 .0433 .0370 .0350 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Manganlotharmeyerite
	Brugger J, Krivovichev S V, Kolitsch U, Meisser N, Andrut M, Ansermet S, Burns P C
	The Canadian Mineralogist 40 (2002) 1597-1608
	Description and crystal structure of manganlotharmeyerite,
	Ca(Mn,_,Mg)2{AsO4,[AsO2(OH)2]}2(OH,H2O)2, from the Starlera Mn-deposit,
	Swiss Alps, and a redefinition of lotharmeyerite
	Locality: Starlera Mn-deposit, Swiss Alps
	_database_code_amcsd 0005797
	9.043 6.2314 7.3889 90 116.392 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 0 0 0 .0144 .0166 .0150 .0105 0 .0051 0
	Mn2 .25 .25 .5 .59 .0099 .0096 .0101 .0080 .0000 .0021 .0002
	Mg2 .25 .25 .5 .17 .0099 .0096 .0101 .0080 .0000 .0021 .0002
	As .91498 .5 .20524 .0102 .0089 .0112 .0089 0 .0026 0
	OH1 .3385 .5 .4098 .59 .0195 .015 .022 .019 0 .006 0
	Wat1 .3385 .5 .4098 .41 .0195 .015 .022 .019 0 .006 0
	O2 .3170 0 .3573 .0190 .019 .019 .022 0 .012 0
	O3 .0351 .2793 .2468 .0186 .0168 .0164 .020 .0008 .0061 -.0010
	O4 .2420 .5000 .0237 .0222 .017 .031 .013 0 .002 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Chlorbartonite
	Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P, Ivanyuk G Y,
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 503-511
	Chlorbartonite, K6Fe24S26(Cl,S), a new mineral species from a hydrothermal
	vein in the Khibina Massif, Kola Peninsula, Russia: Description and
	crystal structure
	Locality: Khibina Massif, Kola Peninsula, Russia
	_database_code_amcsd 0005834
	10.3810 10.3810 20.614 90 90 90 I4/mmm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K1 .29581 0 0 .0233 .021 .026 .023 0 0 0
	K2 0 0 .15318 .0235 .0241 .0241 .022 0 0 0
	Fe1 .13076 .36801 .18394 .0159 .0174 .0161 .0143 .0000 -.0004 -.0005
	Fe2 .36856 .36856 .06625 .0161 .0160 .0160 .0164 -.0001 -.0001 -.0001
	S1 .22763 .22763 .11387 .0160 .0162 .0162 .0154 .0009 .0011 .0011
	S2 0 .24716 .25142 .0158 .0166 .0164 .0146 0 0 -.0006
	S3 .24677 1/2 0 .0157 .016 .017 .014 0 0 0
	S4 0 1/2 .12252 .0158 .016 .016 .015 0 0 0
	S5 0 0 .37261 .0161 .0170 .0170 .014 0 0 0
	Cl 0 0 0 .0217 .021 .021 .024 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Na3Tl3[(UO2)(MoO4)4]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 707-719
	Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
	Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
	Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
	Sample 1
	_database_code_amcsd 0005855
	20.5823 7.4391 26.2514 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .50971 .37338 .12930 .0155 .0090 .0218 .0156 -.0010 .0002 -.0018
	Mo(1) .40279 .7642 -.00948 .0187 .0138 .0230 .0192 .0017 .0006 .0012
	Mo(2) .39264 .3970 .24780 .0170 .0113 .0248 .0150 .0010 .0017 .0011
	Mo(3) .67391 -.3644 .12343 .0168 .0137 .0194 .0174 -.0029 .0005 .0018
	Mo(4) .34990 .1179 .11875 .0255 .0248 .0275 .0240 -.0069 .0057 -.0056
	Tl(1) .32829 .62135 .11755 .0348 .0309 .0412 .0323 .0026 -.0017 -.0033
	Tl(2) .57676 -.25801 .00878 .0302 .0239 .0364 .0303 -.0019 -.0096 -.0015
	Tl(3) .21487 .39732 .24619 .0338 .0291 .0315 .0409 -.0013 -.0018 -.0077
	Na(1) .8404 -.3695 .1344 .022 .013 .013 .040 -.011 .014 -.013
	Na(2) .2590 .0386 -.0162 .033 .018 .037 .046 -.001 .000 -.009
	Na(3) .967 -.668 .1870 .35 .070
	Na(4) .9949 -.637 .1622 .65 .059
	O(1) .4133 .2709 .0954 .024 .011 .040 .022 -.004 -.001 .009
	O(2) .3503 .5992 .0135 .024 .018 .022 .031 -.005 .003 .000
	O(3) .5411 .1478 .1409 .021 .012 .025 .027 -.002 .006 -.004
	O(4) .4686 .6544 -.0438 .020 .023 .018 .018 -.004 -.003 -.001
	O(5) .3591 .9173 -.0492 .031 .034 .030 .029 .008 -.005 .005
	O(6) .4387 .8817 .0392 .034 .023 .038 .040 .009 -.010 .008
	O(7) .7120 -.3029 .0666 .028 .023 .036 .026 -.005 .007 -.005
	O(8) .3401 .5621 .2267 .032 .035 .024 .037 .006 -.019 .001
	O(9) .6207 -.5466 .1128 .027 .017 .033 .031 .003 .007 -.001
	O(10) .4427 .4963 .2954 .026 .013 .040 .024 -.008 -.010 .000
	O(11) .6325 -.1813 .1496 .035 .041 .019 .044 -.002 .022 -.002
	O(12) .4820 .5961 .1198 .033 .015 .043 .041 .010 .003 .002
	O(13) .3457 .2273 .2763 .030 .032 .037 .021 -.010 .006 .004
	O(14) .2967 .235 .1601 .049 .022 .058 .068 -.007 .025 -.016
	O(15) .7351 -.428 .1668 .043 .029 .052 .049 -.007 -.013 .006
	O(16) .3808 -.0596 .1554 .050 .085 .028 .036 -.010 .017 .000
	O(17) .3060 .034 .0673 .044 .018 .065 .049 -.016 .011 -.025
	O(18) .4397 .3020 .1975 .035 .024 .051 .029 -.002 .006 -.016
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1)
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 707-719
	Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
	Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
	Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
	Sample 2
	_database_code_amcsd 0005856
	19.7942 7.1913 22.8835 90 97.828 90 P2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .30498 .32356 .14435 .0119 .0121 .0133 .0103 .00111 .0020 .0001
	U(2) -.18434 -.34747 .13618 .0134 .0116 .0173 .0114 -.00128 .0021 .0007
	Tl(1) .48894 .52392 .09434 .0282 .0269 .0255 .0314 -.0022 .0008 -.0053
	Tl(2) 0 -.67522 .25 .70 .0255 .0247 .0343 .0201 0 .0122 0
	Tl(3) -.21575 .1447 .07311 .20 .0164 .0186 .0156 .0159 .0048 .006 .003
	Mo(1) .14674 .31323 .02706 .0134 .0150 .0150 .0105 .0013 .0025 .0006
	Mo(2) .67240 .34437 .18297 .0130 .0150 .0122 .0113 -.0023 -.0002 .0000
	Mo(3) .44974 .02633 .11037 .0153 .0145 .0174 .0147 .0034 .0048 .0001
	Mo(4) .65040 .62143 .02228 .0126 .0131 .0142 .0104 -.0005 .0017 .0003
	Mo(5) -.14739 -.42124 .31123 .0151 .0177 .0153 .0119 -.0028 .0000 .0013
	Mo(6) -.03768 -.02770 .11189 .0183 .0192 .0162 .0208 -.0042 .0078 -.0014
	Na(1) .0978 -.1927 .0406 .0285 .032 .020 .033 -.002 .003 -.002
	Na(2) .4007 -.1270 -.0321 .0243 .028 .019 .026 .006 .002 .004
	Na(3) .6297 .8592 .1612 .0213 .029 .020 .015 -.005 .002 -.004
	Na(4) -.0131 .4540 .0761 .0237 .024 .029 .019 -.009 .006 .003
	Na(5) -.1410 -.9132 .3305 .0281 .035 .025 .025 -.001 .005 .003
	Na(6) .5 -.2392 .25 .90 .029 .040 .040 .006 0 .002 0
	Na(7) .2700 -.2046 .0867 .069 .096 .045 .075 -.009 .040 -.003
	O(1) .5876 .4527 .0203 .026 .017 .023 .038 -.008 -.005 -.004
	O(2) .1189 .1294 .0654 .027 .043 .016 .024 -.016 .017 -.004
	O(3) .2716 .0931 .1360 .015 .017 .013 .014 -.002 .005 -.002
	O(4) -.1194 -.5088 .1212 .025 .024 .026 .028 -.002 .008 .009
	O(5) .2167 .4258 .0714 .022 .022 .027 .017 -.001 .000 -.003
	O(6) .0821 .4792 .0153 .017 .014 .026 .011 .006 .000 .001
	O(7) .4144 .1953 .1577 .021 .015 .030 .017 .012 .000 -.007
	O(8) .6438 .1692 .1350 .025 .032 .014 .025 -.007 -.004 -.006
	O(9) .3894 -.1198 .0737 .026 .027 .027 .024 -.006 .004 -.013
	O(10) .1700 .2251 -.0383 .022 .030 .030 .006 -.010 .001 .000
	O(11) .7585 .4047 .1769 .020 .025 .016 .018 -.001 .000 .003
	O(12) .3382 .5570 .1529 .022 .032 .023 .011 -.003 -.002 .004
	O(13) .7281 .5315 .0596 .023 .028 .025 .017 .002 .005 .006
	O(14) -.1074 -.1107 .1471 .022 .021 .024 .023 -.011 .006 .005
	O(15) .6192 .5394 .1687 .028 .021 .013 .046 .000 -.010 .004
	O(16) .6558 .6810 -.0549 .026 .015 .047 .016 .004 .004 .002
	O(17) .6231 .8149 .0579 .026 .034 .025 .015 .003 -.008 .000
	O(18) -.2476 -.1854 .1518 .024 .018 .023 .032 -.001 .008 .003
	O(19) -.0022 -.2106 .0750 .023 .021 .019 .029 .007 .001 -.004
	O(20) -.2108 -.5942 .3118 .029 .032 .039 .022 -.012 .022 -.004
	O(21) .5076 -.1155 .1560 .028 .026 .026 .031 .009 .007 .003
	O(22) .6631 .2655 .2563 .022 .020 .035 .011 -.011 .005 .000
	O(23) -.1409 -.3551 .2393 .033 .031 .044 .023 -.026 -.001 .005
	O(24) .4917 .1393 .0618 .031 .029 .036 .030 .007 .016 .003
	O(25) -.0717 -.5190 .3427 .034 .029 .038 .027 .008 -.019 -.002
	O(26) -.0623 .1481 .0601 .039 .062 .012 .046 .010 .019 .009
	Wat(27) .6198 .8621 .2644 .034 .043 .040 .020 .004 .005 -.005
	Wat(28) -.1408 -.8512 .2334 .038 .045 .039 .025 .014 -.008 -.011
	O(29) -.1650 -.2333 .3554 .034 .037 .027 .037 .005 -.003 -.007
	O(30) .0228 .0648 .1631 .048 .030 .061 .052 -.031 .002 -.016
	Wat(31) .5 -.572 .25 .80 .050 .039 .063 .043 0 -.013 0
	Wat(32) -.2158 .176 .0042 .058
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Na3Tl5[(UO2)(MoO4)2]2(H2O)3
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 707-719
	Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
	Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
	Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
	Sample 3
	_database_code_amcsd 0005857
	10.7662 11.9621 12.8995 90 90 90 P2_12_12_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .29343 .52182 .07025 .0138 .0142 .0167 .0105 -.0004 .0008 .0003
	Tl(1) -.07078 .68815 .08152 .0357 .0321 .0381 .0368 .0053 -.0024 -.0033
	Tl(2) .49257 .21540 -.07094 .0475 .0542 .0413 .0471 -.0030 .0019 -.0038
	Tl(3) .8298 .37234 -.17244 .5 .0484 .0695 .0392 .0366 .0050 -.0151 -.0033
	Mo(1) .66663 .48353 .05762 .0200 .0152 .0231 .0217 -.0032 -.0024 .0062
	Mo(2) .46129 .51265 -.20599 .0162 .0138 .0225 .0123 .0011 -.0005 .0000
	Mo(3) .37730 .39293 .33171 .0189 .0169 .0236 .0163 .0028 .0013 .0012
	Na(1) .7591 .6618 -.1881 .026 .031 .019 .028 -.001 -.007 .004
	Na(2) .751 .350 -.181 .5 .075 .033 .075 .12 -.003 -.021 -.063
	O(1) .3542 .5058 .2407 .025 .028 .033 .014 -.006 -.002 -.010
	O(2) .2853 .3760 .0594 .032 .043 .037 .015 .015 .001 -.013
	O(3) .2984 .6702 .0840 .030 .065 .016 .009 .012 .015 .003
	O(4) .7353 .5002 .1784 .039 .050 .035 .033 .009 -.028 .005
	O(5) .3454 .5258 -.1101 .025 .024 .038 .013 .003 -.001 -.006
	O(6) .5609 .4004 -.1807 .033 .021 .038 .039 .010 .002 -.009
	O(7) .2734 .2825 .3101 .029 .043 .015 .029 .009 .013 -.003
	O(8) .3813 .4454 .4635 .031 .029 .055 .009 -.002 -.004 .003
	O(9) .3930 .4894 -.3279 .030 .024 .052 .013 -.002 -.004 -.009
	O(10) .5458 .6358 -.2084 .034 .027 .036 .041 .000 .006 .002
	O(11) .5236 .3437 .3036 .034 .019 .052 .032 .007 .007 .009
	O(12) .5041 .5196 .0547 .042 .015 .086 .024 .005 -.004 -.010
	Wat13 .7426 .7921 -.3248 .037 .035 .041 .035 .010 .001 .002
	O(14) .6793 .3419 .0198 .045 .058 .037 .041 .007 -.030 -.003
	O(15) .7489 .5658 -.0302 .054 .062 .070 .029 -.001 .002 .014
	Wat16 .989 .342 -.172 .5 .031 .031 .011 .05 -.003 -.015 -.001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Na2[(UO2)(MoO4)2](H2O)4
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 707-719
	Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
	Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
	Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
	Sample 4
	_database_code_amcsd 0005858
	8.9023 11.5149 13.8151 90 107.743 90 P2_1/n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .18365 .21151 .153504 .01401 .0162 .0128 .01238 -.0008 .00323 -.0005
	Mo(1) .40090 .38523 .41116 .0162 .0205 .0131 .0123 -.0011 .0009 .0005
	Mo(2) .35641 .51588 .12263 .0163 .0205 .0144 .0139 -.0021 .0051 -.0026
	Na(1) .7878 .4105 .16643 .0285 .0315 .0254 .0302 .0008 .0119 .0009
	Na(2) .2981 .4150 .6447 .0311 .0296 .0364 .0303 .0017 .0134 .0005
	O(1) .5615 .2953 .4747 .0249 .040 .012 .020 .006 .006 -.0031
	O(2) .4571 .5338 .3971 .0187 .027 .011 .018 .0000 .0061 -.0019
	O(3) .0043 .2674 .1670 .0234 .026 .023 .020 .000 .005 .0020
	O(4) .2536 .3824 .0842 .0253 .041 .024 .012 -.013 .009 -.0014
	O(5) .3603 .1498 .1402 .0252 .021 .031 .026 -.002 .010 .003
	O(6) .2665 .5994 .1991 .0207 .030 .019 .012 .002 .0046 -.0032
	O(7) .5518 .4943 .1908 .0259 .020 .037 .021 -.001 .008 -.005
	O(8) .2501 .3796 .4647 .0272 .026 .032 .022 -.007 .006 -.003
	Wat(9) .0927 .5392 .6496 .0344 .034 .036 .031 .002 .008 -.003
	O(10) .3489 .5953 .0147 .0276 .041 .022 .021 -.008 .010 .004
	O(11) .3272 .3311 .2859 .0271 .037 .023 .015 -.007 -.002 .0004
	O(12) .9297 .5649 .1316 .0372 .034 .041 .033 -.010 .004 .009
	Wat(13) .1976 .2687 .7260 .0369 .034 .031 .051 .002 .021 -.003
	Wat(14) .6078 .7461 .0680 .0446 .063 .050 .029 -.020 .026 -.010
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pb4O(VO4)2
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 951-958
	Chains of edge-sharing OPb4 tetrahedra in the structure of Pb4O(VO4)2 and in
	related minerals and inorganic compounds
	_database_code_amcsd 0005877
	22.7276 11.5346 7.4349 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb(1) .33537 1/4 .66426 .01871 .0167 .0260 .0135 0 .0012 0
	Pb(2) .51139 1/4 .74882 .01534 .0120 .0205 .0135 0 .00075 0
	Pb(3) .65463 1/4 .43025 .01516 .0136 .0166 .0152 0 .0010 0
	Pb(4) .74446 .02794 .15225 .01540 .0142 .01759 .01441 .00252 .00085 -.00005
	Pb(5) .42309 .00804 .98922 .01554 .0103 .01733 .01895 .00017 -.00064 -.00020
	Pb(6) .48561 1/4 .23909 .01583 .0154 .0185 .0136 0 .00072 0
	V(1) .68318 1/4 .8864 .0111 .0110 .0118 .0106 0 .0011 0
	V(2) .59476 -.00380 .4954 .0113 .0100 .0110 .0128 -.0006 .0005 .0002
	V(3) .32193 1/4 .1325 .0099 .0093 .0107 .0096 0 .0003 0
	O(1) .5037 .1247 .9927 .0148 .012 .013 .020 .001 .005 .000
	O(2) .7281 .1313 .8485 .0190 .023 .016 .018 .004 -.002 -.003
	O(3) .5825 -.1210 .3579 .0221 .027 .014 .025 .003 -.005 -.006
	O(4) .5740 .1221 .3894 .0216 .017 .016 .032 .002 -.007 .003
	O(5) .6233 1/4 .7474 .024 .012 .039 .020 0 -.002 0
	O(6) .3930 1/4 .0605 .021 .010 .024 .029 0 .001 0
	O(7) .6705 .0107 .5152 .0264 .011 .036 .032 .005 -.004 .002
	O(8) .2872 .1291 .0547 .0270 .025 .022 .034 -.011 .000 -.014
	O(9) .5623 -.0227 .6960 .0244 .031 .026 .016 -.006 .011 .002
	O(10) .3158 1/4 .3637 .031 .037 .042 .015 0 -.003 0
	O(11) .6626 1/4 .1032 .028 .034 .036 .014 0 .000 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tl2[(UO2)2O(MoO5)]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 1225-1231
	Crystal chemistry of uranyl molybdates. IX. A novel uranyl molybdate sheet in the
	structure of Tl2[(UO2)2O(MoO5)]
	_database_code_amcsd 0005889
	8.2527 28.5081 9.1555 90 104.122 90 P2_1/n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U1 .41320 .09965 .91820 .00917 .0100 .0063 .00980 .00018 -.00043 -.0002
	U2 -.17362 .16754 .28007 .00908 .0095 .0071 .00918 .00080 -.00051 .0010
	U3 .17917 .18742 .63612 .00960 .0109 .0061 .01013 .00006 -.00083 .0002
	U4 .01842 .06801 .52999 .00872 .0106 .0057 .00873 -.00030 .00027 .0002
	Tl1 -.07176 .12421 .89186 .0228 .0274 .0206 .0222 .0006 .0096 -.0008
	Tl2 -.24059 -.01384 .81425 .0312 .0366 .0345 .0237 -.0049 .0094 -.0060
	Tl3 -.47944 .09974 .47969 .0357 .0295 .0323 .0457 -.0022 .0099 .0057
	Tl4 .81118 .29198 .70214 .866 .0392 .0380 .0345 .0506 -.0020 .0217 .0109
	Tl5 .7347 .2765 .6039 .134 .090
	Mo1 .6007 .20996 .93957 .0092 .0106 .0056 .0095 -.0004 -.0008 .0003
	Mo2 -.2279 .03084 .18158 .0101 .0125 .0060 .0095 -.0008 -.0019 .0001
	O1 .1791 .0690 .4266 .017 .016 .014 .023 -.003 .008 .001
	O2 -.1118 .0044 .3692 .019 .029 .007 .015 -.001 -.007 .004
	O3 .0005 .1609 .1961 .019 .016 .024 .019 .000 .007 .005
	O4 -.3552 .1765 .3575 .018 .015 .022 .019 .003 .005 .001
	O5 .6398 .1517 .0444 .0131 .018 .004 .014 -.001 -.003 .006
	O6 .7450 .2331 .1216 .0146 .015 .007 .016 .000 -.007 .004
	O7 .4948 .2664 .9222 .017 .019 .010 .017 -.003 -.005 -.002
	O8 -.1448 .0644 .6339 .018 .021 .015 .018 -.004 .003 .000
	O9 .0545 .2049 .7647 .023 .022 .030 .019 -.001 .009 -.003
	O10 .2883 .1165 .0480 .017 .021 .019 .010 .004 .002 -.002
	O11 .1982 .1103 .7204 .0144 .020 .011 .009 -.003 -.003 -.003
	O12 -.1836 .0884 .3081 .0134 .015 .009 .013 .003 -.004 -.001
	O13 -.0238 .1456 .5025 .0144 .017 .010 .014 -.003 .000 -.003
	O14 .4016 .1792 .8411 .023 .027 .011 .020 -.004 -.014 .008
	O15 .5467 .0831 .7967 .024 .021 .034 .020 .002 .012 -.005
	O16 .3140 .1748 .5098 .022 .029 .016 .023 .005 .012 .009
	O17 -.0984 .0458 .0656 .024 .035 .021 .022 -.005 .018 -.005
	O18 -.4370 .0528 .1129 .022 .018 .021 .023 -.002 -.003 .004
	O19 -.2815 -.0283 .1118 .018 .025 .009 .017 -.004 .000 .001
	O20 .7192 .2101 .8114 .023 .029 .023 .020 -.004 .011 .003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluorvesuvianite
	Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V
	The Canadian Mineralogist 41 (2003) 1371-1380
	Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species
	from Pitkaranta, Karelia, Russia: Description and crystal structure
	Locality: Pitkaranta, Karelia, Russia
	_database_code_amcsd 0005894
	15.5295 15.5295 11.7808 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 3/4 1/4 0 .803 .0031 .0029 .0029 .0034 0 0 0
	Si2 .81894 .04068 .87126 .0097 .0093 .0104 .0095 .0004 .0007 .0007
	Si3 .91766 .84952 .36457 .0102 .0135 .0081 .0091 -.0012 .0002 .0008
	Ca1 3/4 1/4 1/4 .0113 .0131 .0099 .0108 0 0 0
	Ca2 .81096 .04346 .37980 .0111 .0095 .0128 .0109 .0010 -.0002 .0001
	Ca3 .89923 .82022 .88711 .0156 .0132 .0130 .0207 .0020 -.0057 -.0026
	Ca4 3/4 3/4 .1428 .50 .0140 .0140 .0140 .014 0 0 0
	Fe1 3/4 3/4 .0500 .50 .0255 .0141 .0141 .048 0 0 0
	Al2 0 0 0 .0103 .0095 .0067 .0148 .0013 .0019 .0003
	Fe3 .88813 .12071 .12691 .046 .0080 .0087 .0084 .0070 .0004 .0017 -.0001
	Al3 .88813 .12071 .12691 .780 .0080 .0087 .0084 .0070 .0004 .0017 -.0001
	Mg3 .88813 .12071 .12691 .17 .0080 .0087 .0084 .0070 .0004 .0017 -.0001
	O1 .7811 .1714 .0869 .0111 .010 .014 .009 -.0006 -.002 -.0042
	O2 .8835 .1594 .2785 .0096 .012 .008 .009 -.0005 -.001 .0016
	O3 .9504 .2782 .4233 .0104 .014 .009 .009 -.0025 -.0027 -.0034
	O4 .1067 -.0627 .0296 .0106 .010 .009 .012 -.0033 -.0004 .0021
	O5 .8305 .0148 .1782 .0121 .009 .012 .015 .0061 .0037 .0008
	O6 .8823 .7288 .0590 .0148 .021 .010 .014 .0034 .003 .0025
	O7 .0564 .1750 .3221 .0122 .011 .013 .013 .0016 -.0002 .0031
	O8 .0906 .0610 .5661 .0104 .010 .009 .012 -.0008 -.0008 -.0028
	O9 .8554 .8554 1/4 .0109 .0115 .0115 .010 -.002 -.0017 .0017
	O10 3/4 3/4 .8642 .0146 .014 .014 .015 0 0 0
	F11 -.0047 .0620 .1374 .72 .0166 .016 .020 .014 -.0006 -.0010 -.0030
	O11 -.0047 .0620 .1374 .28 .0166 .016 .020 .014 -.0006 -.0010 -.0030
	H 3/4 3/4 3/4 .080
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ag10[(UO2)8O8(Mo5O20)]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 41 (2003) 1455-1462
	Crystal chemistry of uranyl molydates. X. The crystal structure of Ag10[(UO2)8O8(Mo5O20)]
	_database_code_amcsd 0005920
	24.672 23.410 6.7932 90 93.985 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .87540 .12838 .50536 .0082 .0147 .0044 .0058 -.0001 .0029 -.0001
	U(2) .87310 -.03357 .54066 .0087 .0148 .0061 .0055 .0000 .0019 .0004
	U(3) .62419 -.12832 .59042 .0081 .0142 .0036 .0064 -.0002 .0008 -.0003
	U(4) .62692 .03342 .62694 .0081 .0140 .0055 .0050 -.0004 .0017 -.0007
	Ag(1) .74727 -.04640 .8264 .0245 .0240 .0250 .0250 .0022 .0041 .0022
	Ag(2) 0 -.10751 -1/4 .0244 .0275 .0183 .0292 0 .0126 0
	Ag(3) 0 -.04924 1/4 .0256 .0280 .0253 .0231 0 -.0011 0
	Ag(4) .75459 -.11720 .3144 .0236 .0244 .0179 .0281 .0021 -.0005 .0004
	Ag(5) .75897 -.28430 .2190 .75 .0321 .0290 .0267 .0419 .0128 .0111 .0094
	Ag(6) 1/2 -.10711 1/4 .0252 .0281 .0175 .0286 0 -.0051 0
	Ag(7) 1/2 -.04981 3/4 .0236 .0239 .0211 .0270 0 .0087 0
	Ag(8) 0 -.2022 1/4 .5 .073 .077 .089 .056 0 .020 0
	Mo(1) .63527 -.20220 .1194 .0087 .0144 .0046 .0075 -.0003 .0032 .0004
	Mo(2) .63392 -.29817 .4749 .0083 .0141 .0041 .0066 .0009 .0001 .0004
	Mo(3) 0 -.25144 -1/4 .0181 .0075 .0134 .0327 0 -.0020 0
	O(1) .7985 -.0386 .5160 .023
	O(2) .9504 -.0297 .5684 .022
	O(3) .8024 .1342 .4889 .019
	O(4) .6968 -.1336 .6191 .022
	O(5) .6244 -.2191 .4365 .009
	O(6) .7005 .0394 .6482 .026
	O(7) .5494 .0310 .6070 .021
	O(8) .9509 .1252 .5294 .019
	O(9) .7032 -.3004 .5031 .026
	O(10) .5473 -.1265 .5646 .024
	O(11) .7035 -.2016 .1387 .027
	O(12) .6163 -.3090 .7190 .017
	O(13) .6247 -.2813 .1480 .015
	O(14) .9616 -.2088 -.4137 .033
	O(15) .8766 -.0631 .2357 .024
	O(16) .6231 -.0625 .8199 .019
	O(17) .6192 -.1898 -.1353 .018
	O(18) .9585 -.2949 -.1226 .024
	O(19) .8720 -.0441 .8581 .017
	O(20) .6215 -.1318 .2206 .015
	O(21) .6246 .0468 .9422 .037
	O(22) .6148 -.3684 .3623 .030
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cu2V2O7
	Krivovichev S V, Filatov S K, Cherepansky P N, Armbruster T, Pankratova O Y
	The Canadian Mineralogist 43 (2005) 671-677
	The crystal structure of gamma-Cu2V2O7 and its comparison to blossite
	(alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7)
	_database_code_amcsd 0006001
	5.0873 5.8233 9.4020 99.780 97.253 97.202 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .26344 .15492 .51698 .0128 .0094 .0164 .0128 -.00025 -.0005 .00625
	Cu2 .28090 .14584 .00655 .0126 .0121 .0123 .0122 .00474 -.0014 -.00089
	V1 .16373 -.32508 .21877 .0095 .0095 .0095 .0092 .0015 .0006 .0013
	V2 .28516 -.26957 .69728 .0091 .0094 .0090 .0085 .0010 .0006 .0014
	O1 .0885 -.1078 .6023 .0118 .010 .012 .014 .0018 .0003 .0054
	O2 .4145 -.1774 .3498 .0141 .012 .014 .015 .0008 -.0028 .0028
	O3 .0486 -.1293 .1195 .0133 .012 .014 .014 .0029 -.0007 .0044
	O4 .3846 -.1248 .8774 .0123 .012 .013 .011 .0048 -.0016 -.0008
	O5 .1051 -.5550 .6891 .0145 .015 .013 .015 .0002 .0035 .0033
	O6 .5498 -.3136 .6176 .0123 .012 .012 .014 .0021 .0021 .0043
	O7 .2637 -.5429 .1096 .0195 .022 .018 .018 .0093 .0008 -.0019
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs2[(UO2)(MoO4)2]
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 43 (2005) 713-720
	Crystal chemistry of the uranyl molybdates. XI. Crystal structures of
	Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)
	_database_code_amcsd 0006004
	11.762 14.081 14.323 90 90 90 Pbca
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .17552 .16084 .46766 .01593 .0164 .0121 .0193 .0003 .0005 .0001
	Cs1 .00956 .33525 .68449 .0322 .0406 .0235 .0325 .0006 .0034 .0026
	Cs2 .24206 .42296 .29032 .0333 .0337 .0369 .0293 .0012 .0043 -.0028
	Mo1 .34902 .39475 .54950 .0172 .0153 .0134 .0228 -.0005 .0021 -.0004
	Mo2 -.04971 .36110 .40357 .0209 .0196 .0153 .0278 .0033 .0026 .0041
	O1 .2182 .1588 .3483 .0234 .025 .016 .029 -.006 .004 -.003
	O2 .1322 .1625 .5868 .0248 .027 .018 .030 .001 .008 -.002
	O3 .4925 .3830 .5852 .0246 .025 .019 .030 -.001 -.004 -.002
	O4 -.1439 .3974 .4938 .0247 .022 .016 .037 -.005 .008 -.003
	O5 .3383 .4928 .4717 .0215 .023 .011 .031 .004 .005 .000
	O6 .3045 .2938 .4860 .0248 .023 .021 .030 -.010 -.006 .002
	O7 .2649 .4157 .6443 .0324 .027 .031 .038 .004 .011 .004
	O8 .0742 .3026 .4481 .0323 .027 .021 .049 .000 -.007 -.002
	O9 -.0065 .4581 .3380 .039 .040 .026 .051 .005 .017 .022
	O10 -.1190 .2861 .3279 .0338 .036 .035 .029 .004 -.007 -.007
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs2[(UO2)(MoO4)2](H2O)
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 43 (2005) 713-720
	Crystal chemistry of the uranyl molybdates. XI. Crystal structures of
	Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)
	_database_code_amcsd 0006005
	8.222 11.0993 13.9992 90 95.155 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .47609 .72547 .15249 .0201 .0271 .0156 .0173 .0021 -.0001 -.0008
	Mo1 .49952 .60953 -.09714 .0227 .0366 .0141 .0172 -.0014 .0012 -.0005
	Mo2 .74909 .96972 -.15144 .0205 .0234 .0169 .0208 .0018 -.0003 -.0017
	Cs1 .23257 .92489 -.11853 .0308 .0340 .0315 .0262 .0056 -.0009 -.0004
	Cs2 .9515 .66308 .07868 .0809 .0463 .112 .0816 .0097 -.0082 .0085
	O1 .4240 .4579 -.0894 .024 .030 .023 .019 -.001 .006 .007
	O2 .4191 .7119 -.0165 .034 .055 .024 .023 .010 -.001 .000
	O3 .2927 .6503 .1683 .029 .024 .033 .032 .001 .003 .002
	O4 .6657 .0978 -.1004 .041 .079 .024 .019 .017 -.002 -.008
	O5 .6635 .7994 .1401 .038 .048 .022 .045 -.015 .010 .007
	O6 .4209 .6573 -.2131 .038 .065 .029 .018 -.016 -.001 .004
	O7 .8444 .8936 -.0559 .029 .034 .029 .021 .008 -.007 .003
	O8 .5949 .8784 -.2139 .030 .030 .032 .027 -.012 -.005 -.008
	O9 .7082 .6160 -.0916 .040 .042 .032 .047 -.003 .006 -.001
	O10 .9001 .0071 -.2254 .042 .032 .051 .043 -.001 .005 .013
	Wat .9877 .1940 -.3370 .132
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Allochalcoselite
	Krivovichev S V, Filatov S K, Burns P C, Vergasova L P
	The Canadian Mineralogist 44 (2006) 507-514
	The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5,
	a mineral with well-defined Cu+ and Cu2+ positions
	Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
	_database_code_amcsd 0006091
	18.468 6.1475 15.314 90 119.284 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .98610 .2462 .74348 .0136 .0094 .0166 .0155 -.0019 .0067 -.0042
	Cu2 .93169 0 .5343 .0196 .0094 .0437 .0070 0 .0050 0
	Cu3 .93998 .5 .0455 .0153 .0084 .0296 .0075 0 .0035 0
	Cu4 .64740 0 .8306 .0197 .0145 .0284 .0222 0 .0137 0
	Cu5 .5 0 .5 .0291 .024 .032 .032 0 .015 0
	Cu6 0 0 0 .0427 .064 .038 .042 0 .038 0
	Pb .79657 0 .63877 .0152 .0089 .0217 .0134 0 .0042 0
	Se1 .12845 0 .70903 .0113 .0053 .0192 .0093 0 .0034 0
	Se2 .85671 .5 .79940 .0118 .0071 .0189 .0100 0 .0047 0
	O1 .8829 .7134 .7511 .016 .014 .023 .013 .000 .008 .001
	O2 .0946 .2154 .7468 .022 .016 .027 .028 -.004 .015 -.009
	O3 .9401 .5 .9184 .016 .012 .031 .003 0 .003 0
	O4 .9317 0 .6582 .011 .009 .015 .013 0 .008 0
	O5 .0401 .5 .8211 .012 .002 .024 .005 0 -.001 0
	O6 .0551 0 .5867 .026 .014 .056 .001 0 -.002 0
	Cl1 .6982 0 .0082 .0222 .008 .041 .012 0 .001 0
	Cl2 .5865 0 .4462 .0312 .028 .039 .024 0 .011 0
	Cl3 .7886 0 .4388 .0221 .013 .036 .019 0 .008 0
	Cl4 .7613 0 .8150 .0275 .017 .044 .026 0 .013 0
	Cl5 .0623 0 .9198 .0314 .040 .032 .016 0 .009 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Blixite
	Krivovichev S V, Burns P C
	The Canadian Mineralogist 44 (2006) 515-522
	The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?
	Locality: synthetic
	_database_code_amcsd 0006092
	26.069 5.8354 22.736 90 102.612 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .17921 .9397 .17404 .0178 .017 .0246 .0125 -.0060 .0040 -.0002
	Pb2 .07084 .5554 .14602 .0173 .019 .0200 .0136 -.0054 .0047 -.0010
	Pb3 .17943 .5564 .04021 .0156 .014 .0175 .0150 .0052 .0025 .0038
	Pb4 .07085 .9420 .01418 .0160 .014 .0196 .0151 .0061 .0036 -.0019
	Pb5 .32463 .0247 .19823 .0148 .015 .0170 .0142 -.0019 .0068 -.0035
	Pb6 .42678 .4720 .22380 .0142 .013 .0171 .0118 -.0007 .0016 .0044
	Pb7 .32465 .5237 .08871 .0133 .012 .0084 .0188 -.0026 .0010 .0009
	Pb8 .42675 .9687 .11444 .0139 .013 .0091 .0206 -.0028 .0049 -.0012
	O1 .1222 .7526 .0950 .010
	O2 .1231 .7539 .2232 .017
	O3 .1253 .7531 -.0344 .005
	O4 .3752 .7424 .1663 .011
	O5 .3752 .2506 .1489 .009
	OH6 .1371 .2085 .0143 .071
	OH7 .1340 .2641 .1761 .075
	Cl1 0 .5 0 .037 .034 .042 .035 -.033 .008 -.017
	Cl2 .5 .0017 .25 .028 .045 .016 .024 0 .011 0
	Cl3 .2550 .4896 .1875 .025 .033 .023 .022 -.008 .010 -.004
	Cl4 .2443 .4956 -.0651 .028 .031 .025 .029 -.011 .006 -.005
	Cl5 .4949 .5039 .1243 .024 .024 .029 .020 -.001 .005 -.001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Leningradite
	Siidra O I, Krivovichev S V, Armbruster T, Filatov S K, Pekov I V
	The Canadian Mineralogist 45 (2007) 445-449
	The crystal structure of leningradite, PbCu3(VO4)2Cl2
	Locality: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia
	Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev
	_database_code_amcsd 0006144
	9.005 11.046 9.349 90 90 90 Ibam
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .5 0 .25 .0210 .0262 .0153 .0215 0 0 0
	Cu1 0 0 0 .0142 .0176 .0146 .0104 -.0050 0 0
	Cu2 .25095 -.32837 0 .0128 .0089 .0198 .0096 .0035 0 0
	V .5 .29546 .25 .0073 .0072 .0093 .0054 0 .0005 0
	O1 .0981 .1107 .1354 .0126 .0123 .013 .013 -.0034 -.0022 .0021
	O2 .3871 .2015 .1565 .0141 .017 .015 .011 -.0005 -.0032 -.0009
	Cl .3116 -.0834 0 .0210 .0208 .0183 .0238 .0029 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pauflerite
	Krivovichev S V, Vergasova L P, Britvin S N, Filatov S K, Kahlenberg V, Ananiev V V
	The Canadian Mineralogist 45 (2007) 921-927
	Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano,
	Kamchatka Peninsula, Russia
	Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
	_database_code_amcsd 0006150
	7.3890 6.2740 7.0788 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	V .33473 .25 .26710 .0082 .0096 .0060 .0091 0 -.0020 0
	S .37696 .75 .36810 .0064 .0063 .0055 .0074 0 -.0006 0
	O1 .3752 .5627 .2434 .0120 .0191 .0055 .0115 -.0005 .0005 -.0019
	O2 .1264 .25 .3324 .0127 .0094 .0139 .0146 0 -.0009 0
	O3 .5448 .75 .4807 .0124 .0084 .0198 .0088 0 -.0029 0
	O4 .2157 .75 .4901 .0125 .0101 .0196 .0078 0 .0018 0
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	Parageorgbokiite
	Krivovichev S V, Filatov S K, Burns P C, Vergasova L P
	The Canadian Mineralogist 45 (2007) 929-934
	The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2
	Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
	_database_code_amcsd 0006151
	5.3982 8.0543 11.1277 90 99.258 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .52244 .20949 .38388 .0136 .0163 .0145 .0108 -.0039 .0044 -.0029
	Cu2 0 .5 .5 .0126 .0096 .0174 .0107 -.0025 .0020 -.0010
	Cu3 .47613 .57640 .38012 .0116 .0128 .0133 .0094 .00218 .0034 .0012
	Se .13167 .90880 .28438 .0108 .0117 .0123 .0090 -.00031 .0033 .0003
	Cl .7221 .8513 .47423 .0197 .0215 .0244 .0149 -.0057 .0076 -.0016
	O1 .6724 .3980 .4729 .0108 .0102 .0138 .0088 -.0010 .0030 -.0005
	O2 .3464 .0584 .2599 .0153 .0184 .0175 .0114 -.0089 .0063 -.0045
	O3 .2846 .7324 .2511 .0135 .0171 .0125 .0114 .0051 .0035 .0047
	O4 -.0834 .9311 .1590 .0151 .0119 .0221 .0118 .0006 .0036 .0051
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	Krivovichevite
	Krivovichev S V, Armbruster T, Yakovenchuk V N
	The Canadian Mineralogist 47 (2009) 153-158
	The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH)
	Locality: Mt. Lepkhe-Nelm, Lovozero alkaline massif, Kola Peninsula, Russia
	_database_code_amcsd 0006276
	7.742 7.742 32.082 90 90 120 R3c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .31619 .27974 .85506 .0154 .0168 .0141 .0161 .0083 .0018 .0012
	Al 0 0 .9403 .012 .012 .012 .012 .0060 0 0
	S 2/3 1/3 .9359 .014 .014 .014 .015 .0071 0 0
	OH1 -.0221 .1852 .9033 .017 .024 .013 .024 .017 .003 .005
	OH2 .0356 -.1776 .9761 .017 .017 .017 .014 .006 .000 .001
	OH3 0 0 .8259 .019 .017 .017 .022 .008 0 0
	O4 2/3 1/3 .8894 .021 .020 .020 .024 .010 0 0
	O5 .5547 .1231 .9506 .017 .009 .012 .026 .001 -.002 .006
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	Perkovaite
	Krivovichev S V, Shcherbakova E P, Nishanbaev T P
	The Canadian Mineralogist 48 (2010) 1469-1475
	The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps
	of the Chelyabinsk coal basin, Russia
	Locality: coal dumps of the Chelyabinsk coal basin, Russia
	_database_code_amcsd 0018301
	16.581 16.581 7.348 90 90 120 P6_3
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	S1 .33636 .31945 .2259 .0128 .0144 .0182 .0069 .0090 .0017 -.0063
	S2 .16348 .18021 -.2825 .0152 .0145 .0122 .0184 .0063 -.0027 .0066
	S3 .31904 .48329 .7124 .0131 .0146 .0147 .0127 .0095 -.0080 -.0100
	S4 .51650 .33590 .7109 .0140 .0128 .0160 .0155 .0088 .0093 .0022
	Mg1 .17363 .33548 .0207 .0070 .0062 .0091 .0072 .0049 -.0031 .0001
	Mg2 .1570 .3305 .4291 .0226 .0221 .0337 .0111 .0132 .0067 -.0005
	Mg3 1/3 2/3 .5170 .0143 .0115 .0115 .020 .0058 .000 .000
	Mg4 1/3 2/3 .9227 .0354 .039 .039 .028 .0195 .000 .000
	Ca1 .52088 .51238 .4641 .0214 .0094 .0313 .0077 -.0016 .0059 .0013
	Ca2 -.0244 -.0153 -.0308 .0220 .029 .012 .030 .014 -.007 -.007
	O1 .4379 .2413 .7182 .0171 .011 .031 .009 .011 .001 .001
	O2 .3020 .5635 .7195 .0182 .026 .021 .016 .019 .001 .002
	O3 .2599 .1971 -.2867 .0182 .014 .011 .023 .001 -.001 -.002
	O4 .2403 .3030 .2299 .0170 .018 .025 .010 .012 -.003 -.003
	O5 .3481 .2656 .3678 .0206 .025 .028 .014 .017 .009 .013
	O6 .2664 .4192 .5696 .0257 .014 .024 .034 .005 -.008 -.024
	O7 .2966 .4375 .8933 .0147 .026 .019 .002 .013 .000 -.003
	O8 .3996 .4179 .2550 .0172 .018 .015 .013 .005 .001 -.003
	O9 .4202 .5197 .6848 .0181 .013 .015 .026 .007 -.004 -.006
	O10 .5705 .3517 .8742 .035 .044 .028 .023 .009 .001 .013
	O11 .1533 .2210 -.1195 .037 .034 .073 .016 .037 -.019 -.024
	O12 .4801 .3987 .7103 .037 .022 .021 .067 .009 .006 -.001
	O13 .1009 .0819 -.2806 .035 .019 .018 .054 -.001 -.002 .010
	O14 .3567 .2953 .0427 .0242 .033 .029 .022 .023 .012 -.004
	O15 .1421 .2185 -.4384 .035 .030 .050 .031 .024 -.002 .018
	O16 .5706 .3516 .5455 .041 .038 .037 .037 .009 .018 .003
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	Ellingsenite
	Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Mikhailova J A,
	Krivovichev S V, Zolotarev A A, Zalkind O A
	The Canadian Mineralogist 49 (2011) 1165-1173
	Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species
	from phonolite of the Aris alkaline complex, Namibia
	Locality: Ariskop quarry, Aris alkaline complex, Namibia
	Note: This is reported as an incomplete structure
	_database_code_amcsd 0018739
	9.576 9.577 16.438 85.85 75.23 60.142 P-1
	atom x y z occ Uiso
	Na1 .5 0 .5 .021
	Na2 .8448 -.2128 .7107 .86 .017
	Ca1 .3564 -.2907 -.5025 .0152
	Ca2 .0818 -.8582 -.5130 .0125
	Ca3 .7756 -.4159 -.4942 .55 .018
	Na3 .7756 -.4159 -.4942 .45 .018
	Si1 .4595 -.4440 -.2301 .0166
	Si2 .8056 -.6630 -.3328 .0125
	Si3 .2987 .4577 -.3268 .0139
	Si4 .0501 -.0324 -.3309 .0114
	Si5 .9247 -.4153 -.3246 .0147
	Si6 .4183 -.1603 -.3312 .0128
	Si7 .5453 .0888 -.3254 .0135
	Si8 .7899 -.1100 -.2225 .0161
	O1 .085 -.0778 -.4272 .015
	O2 .930 -.365 -.4182 .033
	O3 .664 .067 -.4171 .019
	O4 .370 .479 -.4222 .021
	O5 .815 -.6616 -.4293 .015
	O6 .7816 -.1980 -.5624 .013
	O7 .392 .271 -.3022 .021
	O8 .757 -.091 -.1237 .042
	O9 .870 -.550 -.3030 .021
	O10 .932 -.841 -.3092 .018
	O11 .638 .044 -.2506 .018
	O12 .109 .496 -.3075 .021
	O13 .495 -.231 -.4249 .017
	O14 .308 -.438 -.2593 .019
	O15 .963 -.121 -.2697 .020
	O16 .625 -.606 -.2730 .023
	O17 .454 -.018 -.3154 .018
	O18 .214 -.072 -.3035 .019
	O19 .482 -.291 -.2622 .020
	O20 .802 -.272 -.2505 .023
	O21 .421 -.440 -.1317 .041
	Wat22 .385 .084 -.187 .25 .05
	Wat23 .915 -.222 -.857 .73 .05
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	Punkaruaivite
	Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Men'shikov Y P,
	Korchak J A, Krivovichev S V, Spiridonova D V, Zalkind O A
	The Canadian Mineralogist 48 (2010) 41-50
	Punkaruaivite, LiTi2[Si4O11(OH)]2*H2O, a new mineral species from hydrothermal
	assemblages, Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia
	Locality: Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia
	_database_code_amcsd 0006314
	26.688 8.7568 5.2188 90 91.189 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Li 0 .518 .25 .090 .0158 .0153 .0131 .0005 .0002 .0035
	Ti .16618 .10480 .8920 .0147
	Si1 .08868 .6008 .5131 .0492 .0467 .0424 .058 -.0087 .0012 .0025
	Si2 .26853 .08447 .2283 .0110 .0147 .0107 .0077 -.0009 00009 .0002
	O1 .20759 .0690 .2160 .0124 .015 .0130 00099 -.0003 .0011 .0012
	OH2 .12949 .0614 .5811 .0180 .018 .020 .016 .0024 -.0013 -.0047
	O3 .28699 .2594 .2216 .0166 .023 .014 .013 -.0027 -.0006 .0013
	O4 .29072 -.0061 -.0141 .0147 .016 .019 .0093 .0010 .0012 -.0036
	O5 .1214 .7493 .5087 .0289 .030 .025 .032 -.006 .007 .006
	O6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002
	Wat6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002
	O7 .1012 .5048 .767 .101 .112 .089 .104 .005 .015 .049
	Wat8 .0323 .109 .520 .5 .141
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	Isolueshite
	Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
	European Journal of Mineralogy 12 (2000) 597-607
	Crystal structure of isolueshite and its synthetic compositional analogue
	Sample: isolueshite
	_database_code_amcsd 0006836
	3.909 3.909 3.909 90 90 90 Pm-3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 0 0 .75 .0182 .0182 .0182 .0182 0 0 0
	La 0 0 0 .19 .0182 .0182 .0182 .0182 0 0 0
	Ca 0 0 0 .06 .0182 .0182 .0182 .0182 0 0 0
	Nb 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0
	Ti 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0
	O .579 0 1/2 .25 .029 .025 .012 .050 0 0 0
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	Isolueshite
	Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
	European Journal of Mineralogy 12 (2000) 597-607
	Crystal structure of isolueshite and its synthetic compositional analogue
	Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3
	_database_code_amcsd 0006837
	7.7842 7.8033 7.7828 90 90 90 Cmcm
	atom x y z occ Biso
	NaA1 0 .002 1/4 .75 1.47
	LaA1 0 .002 1/4 .25 1.47
	NaA2 0 .499 1/4 .75 1.47
	LaA2 0 .499 1/4 .25 1.47
	NbB 1/4 1/4 0 .5 1.42
	TiB 1/4 1/4 0 .5 1.42
	O1 .215 0 0 2.7
	O2 0 .232 .005 1.7
	O3 .298 .237 1/4 .6
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	Mendipite
	Krivovichev S V, Burns P C
	European Journal of Mineralogy 13 (2001) 801-809
	Crystal chemistry of lead oxide chlorides. I. Crystal structures of
	synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl
	_database_code_amcsd 0006898
	11.879 5.808 9.505 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .0818 1/4 .0819 .017 .017 .015 .018 0 -.002 0
	Pb2 .2818 1/4 .3679 .020 .015 .018 .027 0 -.003 0
	Pb3 .5599 1/4 .7958 .019 .023 .018 .016 0 .001 0
	O .4185 .9950 .388 .016
	Cl1 .3649 1/4 .0808 .028 .029 .033 .021 0 .006 0
	Cl2 .8107 1/4 .8055 .025 .020 .029 .027 0 -.008 0
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	Damaraite
	Krivovichev S V, Burns P C
	European Journal of Mineralogy 13 (2001) 801-809
	Crystal chemistry of lead oxide chlorides. I. Crystal structures of
	synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl
	_database_code_amcsd 0006899
	5.8052 6.9025 15.141 90 90 90 Pmc2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 1/2 .7075 .6803 .019 .020 .016 .021 0 0 -.002
	Pb2 1/2 .2046 .6265 .018 .020 .015 .019 0 0 .002
	Pb3 1/2 .5866 .9144 .022 .019 .033 .014 0 0 -.004
	Pb4 0 .5348 .5542 .017 .018 .017 .015 0 0 .001
	Pb5 0 .3762 .7804 .018 .019 .023 .014 0 0 .003
	Pb6 0 .0737 .4436 .018 .020 .016 .019 0 0 -.001
	O1 .2520 .7190 .0018 .017 .015 .023 .013 .001 -.002 .004
	O2 .2480 .4600 .6722 .021 .019 .021 .023 -.004 -.007 .004
	OH3 0 .7070 .826 .030 .028 .036 .026 0 0 -.014
	OH4 1/2 .6640 .5220 .039 .045 .026 .046 0 0 -.017
	Cl1 0 -.028 .6531 .026 .021 .033 .024 0 0 .001
	Cl2 1/2 -.051 .3516 .042 .056 .041 .030 0 0 .006
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	Pb7O4(OH)4Cl2
	Krivovichev S V, Burns P C
	European Journal of Mineralogy 14 (2002) 135-139
	Crystal chemistry of lead oxide chlorides.
	II. Crystal structure of Pb7O4(OH)4Cl2
	_database_code_amcsd 0006927
	5.791 12.998 19.330 90 90 90.089 C2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .8681 .2303 .5104 .0157 .0119 .0172 .0180 -.0021 .0032 -.0020
	Pb2 .3690 .0356 .5112 .0160 .0132 .0173 .0177 .0007 .0012 -.0005
	Pb3 .8671 .0244 .3834 .0194 .0182 .0208 .0191 -.0034 .0008 -.0003
	Pb4 .3684 .2319 .3807 .0203 .0177 .0211 .0220 -.0016 .0051 .0027
	Pb5 .3689 .2160 .6528 .0163 .0168 .0170 .0151 .0016 .0027 .0049
	Pb6 .8677 .0509 .6536 .0183 .0122 .0163 .0263 .0004 .0027 .0018
	Pb7 .8684 .3807 .7004 .0214 .0192 .0279 .0170 -.0007 .0029 -.0014
	Cl1 .379 .375 .524 .0422 .0279 .0632 .0354 -.0060 .0104 .0402
	Cl2 .855 .388 .366 .0474 .0577 .0480 .0363 -.0247 .0132 -.0015
	O1 .114 .134 .589 .0042
	O2 .62 .128 .587 .0284
	O3 .61 .133 .442 .0038
	O4 .13 .130 .439 .0182
	OH5 .123 .383 .791 .0277
	OH6 .626 .373 .788 .0336
	OH7 .357 .068 .718 .0162
	OH8 .86 .189 .727 .0963
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	Rimkorolgite
	Krivovichev S V, Britvin S N, Burns P C, Yakovenchuk V N
	European Journal of Mineralogy 14 (2002) 397-402
	Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison
	with bakhchisaraitsevite
	_database_code_amcsd 0006928
	8.3354 12.8304 18.313 90 90.025 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .23818 .08279 .00270 .0168 .0132 .0169 .0202 .0009 -.0014 .0003
	Mg1 -.2804 .1866 -.0681 .0060 .0060 .0051 .0067 -.0011 .0012 .0012
	Mg2 .1951 -.0758 -.2292 .0144 .0079 .0085 .0177 .0010 .0001 .0001
	Mg3 -.1979 -.0817 -.2458 .0113 .0093 .0094 .0151 -.0010 .0016 -.0024
	Mg4 -.2956 -.3127 -.2691 .0103 .0093 .0066 .0152 -.0004 -.0014 -.0005
	Mg5 .3129 -.3053 -.2457 .0093 .0088 .0077 .0115 -.0010 .0022 -.0009
	P1 -.0213 .0941 -.1470 .0106 .0089 .0095 .0135 -.0003 -.0001 -.0006
	P2 -.0108 -.2556 -.1499 .0097 .0079 .0107 .0104 -.0012 -.0003 -.0003
	P3 .4900 -.0228 .14849 .0097 .0092 .0084 .0115 .0002 .0003 .0022
	P4 .5125 .1408 .3473 .0105 .0078 .0111 .0126 -.0017 .0002 -.0005
	Wat1 .3684 .2150 .5338 .0286 .0340 .0200 .0310 -.0010 .0040 .0020
	Wat2 .2530 -.4456 -.1904 .0126 .0140 .0080 .0160 -.0010 -.0010 -.0030
	O3 -.0536 .0670 -.0679 .0169 .0180 .0160 .0170 -.0040 .0000 -.0010
	O4 -.0143 -.0033 -.1963 .0106 .0090 .0090 .0140 .0010 -.0030 -.0060
	Wat5 -.2462 -.4472 -.2051 .0122 .0120 .0080 .0170 .0010 .0000 .0000
	O6 .4484 -.0632 .0711 .0100 .0160 .0060 .0070 .0000 -.0010 .0020
	O7 .1485 -.2219 -.1860 .0106 .0070 .0080 .0170 -.0030 .0050 -.0010
	O8 -.0296 -.2006 -.0767 .0135 .0140 .0150 .0120 .0040 .0040 -.0040
	O9 .6452 .1593 .2898 .0110 .0080 .0090 .0150 -.0010 .0060 .0030
	O10 .1334 .1549 -.1520 .0178 .0180 .0150 .0210 -.0090 .0050 -.0020
	O11 -.1480 -.2277 -.2016 .0131 .0130 .0130 .0130 .0020 -.0030 .0020
	Wat12 .5126 -.2630 -.1749 .0153 .0120 .0160 .0180 .0010 .0020 -.0040
	O13 -.1660 .1625 -.1694 .0142 .0110 .0170 .0150 .0060 -.0030 .0000
	O14 .3645 .0592 .1697 .0136 .0120 .0060 .0230 .0030 .0060 .0000
	O15 .3499 .1695 .3126 .0106 .0070 .0100 .0150 .0050 -.0030 .0010
	O16 .4958 -.1157 .2022 .0110 .0080 .0110 .0140 .0010 -.0030 .0040
	O17 .5112 .0241 .3700 .0131 .0140 .0050 .0200 -.0040 .0020 .0030
	Wat18 -.0050 .3753 -.1811 .0176 .0170 .0150 .0220 -.0010 .0040 .0000
	Wat19 -.2704 .1543 .0388 .0279 .0200 .0390 .0250 -.0190 -.0140 -.0050
	O20 .6568 .0290 .1467 .0132 .0090 .0120 .0180 -.0030 -.0010 .0010
	O21 -.0072 -.3758 -.1375 .0134 .0110 .0110 .0190 -.0020 .0040 .0040
	Wat22 .7063 .0064 .4930 .0700 .0910 .0440 .0740 -.0120 -.0390 .0300
	O23 .5485 .2083 .4149 .0150 .0180 .0070 .0200 -.0030 .0020 -.0050
	Wat24 -.1151 .3130 -.0376 .0242 .0280 .0210 .0240 -.0010 -.0030 -.0030
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	Lamprophyllite
	Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P
	European Journal of Mineralogy 15 (2003) 711-718
	Crystal structures of lamprophyllite-2M and lamprophyllite-2O
	from the Lovozero alkaline massif, Kola peninsula, Russia
	Note: displacement factors have been altered by Krivovichev, November 2003
	Locality: Lovozero alkaline massif, Kola peninsula, Russia
	_database_code_amcsd 0007012
	19.215 7.061 5.3719 90 96.797 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti(1) .15057 0 .70775 .0056 .0074 .0046 .0045 0 0 0
	Ti(2) 0 1/2 0 .0246 .0288 .0050 .0339 0 -.0222 0
	Si .14390 .28459 .2049 .0078 .0103 .0051 .0078 .0010 0 .0004
	Na(1) 0 .2590 1/2 .0102 .0146 .0077 .0085 0 .0027 0
	Na(2) 0 0 0 .0174 .0190 .0170 .0172 0 .0062 0
	Sr .28418 0 .26213 .0153 .0214 .0128 .0116 0 .0009 0
	O(1) .4425 0 .2758 .0169 .0160 .0140 .0220 0 .0050 0
	O(2) .17480 .1889 .4674 .0155 .0155 .0158 .0146 -.0028 -.0005 .0061
	O(3) .17532 .1875 .9712 .0143 .0127 .0138 .0166 -.0021 .0028 -.0054
	O(4) .1777 .5000 .2200 .0113 .0130 .0050 .0150 0 -.0013 0
	O(5) .05951 .2965 .1725 .0127 .0092 .0087 .0198 .0005 -.0001 -.0018
	O(6) .0623 0 .6677 .0200 .0120 .0350 .0130 0 .0002 0
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	Lamprophyllite
	Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P
	European Journal of Mineralogy 15 (2003) 711-718
	Crystal structures of lamprophyllite-2M and lamprophyllite-2O
	from the Lovozero alkaline massif, Kola peninsula, Russia
	Note: displacement factors have been altered by Krivovichev, November 2003
	Locality: Lovozero alkaline massif, Kola peninsula, Russia
	_database_code_amcsd 0007013
	19.128 7.0799 5.3824 90 90 90 Pnmn
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti1 .34914 0 .1442 .0027 .0010 .0023 .0048 0 .0002 0
	Ti2 0 0 0 .0254 .0240 .0054 .0470 0 -.0280 0
	Si .14413 .2161 .1440 .0041
	Na1 .5 .2588 0 .0085 .0090 .0050 .0120 0 -.0024 0
	Na2 .5 0 .5 .0110 .0120 .0080 .0130 0 -.0050 0
	Sr .21584 0 .6453 .0126 .0135 .0097 .0145 0 -.0001 0
	OH1 .0570 0 .702 .0190
	O2 .3239 .1864 .3952 .0110
	O3 .3250 .1867 .8900 .0097
	O4 .1777 0 .1448 .0050
	O5 .0593 .2044 .1478 .0102
	O6 .4376 0 .141 .0190
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	Filatovite
	Filatov S K, Krivovichev S V, Burns P C, Vergasova L P
	European Journal of Mineralogy 16 (2004) 537-543
	Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8],
	the first arsenate of the feldspar group
	_database_code_amcsd 0007076
	8.772 13.370 14.690 90 115.944 90 I2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .28451 .00038 .06940 .90 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010
	Na .28451 .00038 .06940 .10 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010
	AsT1 .00850 .18364 .10767 .55 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119
	SiT1 .00850 .18364 .10767 .45 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119
	AlT2 .00558 .18560 .61510 .94 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014
	ZnT2 .00558 .18560 .61510 .06 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014
	AlT3 .71009 .12077 .17143 .96 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007
	ZnT3 .71009 .12077 .17143 .04 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007
	AsT4 .70229 .11568 .67225 .55 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060
	SiT4 .70229 .11568 .67225 .45 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060
	O1 .0046 .1435 .0010 .0292 .0389 .0292 .0200 -.0001 .0134 -.0031
	O2 .6299 .9986 .1418 .0345 .0303 .0203 .0418 .0027 .0056 .0047
	O3 .8340 .1450 .1076 .0448 .0342 .062 .0476 -.0176 .0264 -.0069
	O4 .8160 .1447 .6131 .0406 .0290 .060 .0377 -.0080 .0191 .0006
	O5 .0253 .3055 .1204 .0297 .0312 .0201 .0352 -.0036 .0121 -.0042
	O6 .0336 .3145 .6345 .0305 .0238 .0241 .0386 -.0043 .0091 -.0046
	O7 .1751 .1303 .1970 .0351 .0359 .0371 .0211 .0047 .0023 .0034
	O8 .1839 .1214 .7048 .0311 .0305 .0354 .0212 .0051 .0056 .0008
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	K2Cr2O7
	Krivovichev S V, Kir'yanova E V, Filatov S K, Burns P C
	Acta Crystallographica C56 (2000) 629-630
	Beta-K2Cr2O7
	Note: dimorphic with lopezite
	_database_code_amcsd 0010323
	13.0339 7.375 7.4672 90 91.923 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .14473 .15065 .35562 .0336 .0382 .0266 -.0056 .0002 -.0043
	Cr .39714 .17429 .13497 .0206 .0226 .0207 -.00247 .00292 -.00125
	O1 .44153 .3071 -.0176 .0334 .0398 .0281 -.0049 .0069 .0076
	O2 .33753 .2974 .2780 .0379 .0373 .0277 .0088 .0082 -.0012
	O3 .5 .0595 .25 .0256 .0251 .0343 0 .0020 0
	O4 .32025 .0254 .0494 .0371 .0368 .0479 -.0112 -.0072 -.0054
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	Chloromenite
	Krivovichev S V, Filatov S K, Semenova T F, Rozhdestvenskaya I V
	Zeitschrift fur Kristallographie 213 (1998) 645-649
	Crystal chemistry of inorganic compounds based on chains of oxocentered
	tetrahedra I. Crystal structure of chloromenite, Cu9O2(SeO3)4Cl6
	Locality: Tolbachik volcano, Kamchatka, Russia
	_database_code_amcsd 0011081
	14.170 6.262 12.999 90 113.05 90 I2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .5 0 0 .0192 .0167 .0261 .0152 0 .0066 0
	Cu2 .3792 0 .1633 .0152 .0141 .0114 .0206 0 .0073 0
	Cu3 .2835 0 .5526 .0214 .0250 .0140 .0258 0 .0108 0
	Cu4 .1186 0 .0259 .0257 .0132 .0492 .0122 0 .0024 0
	Cu5 .25 -.25 .25 .0149 .0163 .0102 .0192 .0018 .0080 .0039
	Se1 .2516 0 .88863 .0162 .0156 .0194 .0129 0 .0048 0
	Se2 .03842 0 .23727 .0124 .0126 .0103 .0136 0 .0043 0
	O1 .2381 0 .1601 .013 .014 .006 .015 0 .000 0
	O2 .3761 -.2967 .2170 .021 .024 .016 .031 .005 .016 .015
	O3 .3115 -.307 .5713 .026 .021 .014 .044 .000 .014 .006
	O4 .3664 0 .0014 .025 .015 .046 .015 0 .006 0
	O5 .0150 0 .0980 .022 .011 .035 .016 0 .001 0
	Cl1 .3688 0 .4363 .0244 .0253 .0253 .0220 0 .0075 0
	Cl2 .4460 0 .8068 .0266 .0182 .041 .0180 0 .0044 0
	Cl3 .1484 0 .5968 .0431 .043 .042 .056 0 .032 0
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	Georgbokiite
	Krivovichev S V, Shuvalov R R, Semenova T F, Filatov S K
	Zeitschrift fur Kristallographie 214 (1999) 135-138
	Crystal chemistry of inorganic compounds based on chains of oxocentered
	tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2
	Locality: Tolbachik volcano, Kamchatka, Russia
	_database_code_amcsd 0011082
	6.030 13.744 5.562 90 95.75 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .4304 .18954 .5552 .0177 .0200 .0171 .0167 .0020 .0054 .0016
	Cu2 .5 0 0 .0163 .0155 .0206 .0130 .0030 .0028 .0025
	Cu3 .2593 .99640 .4868 .0160 .0126 .0191 .0164 .0005 .0017 -.0026
	Se .0620 .13521 .8999 .0149 .0134 .0174 .0143 .0009 .0024 .0003
	O1 .5030 .0618 .6805 .0165 .015 .020 .015 -.002 .003 .000
	O2 .2234 .0596 .0767 .0186 .012 .026 .018 .002 .002 .003
	O3 .027 .0728 .6330 .0173 .017 .017 .017 -.002 .001 -.003
	O4 .2469 .2216 .8163 .0189 .021 .019 .016 -.003 .004 .003
	Cl .6712 .1750 .2657 .0209 .0208 .0239 .0187 .0027 .0053 .0025
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	Urusovite
	Krivovichev S V, Molchanov A V, Filatov S K
	Crystallography Reports 45 (2000) 723-727
	Crystal structure of urusovite Cu(AlAsO5): a new type of an aluminoarsenate
	tetrahedral polyanion
	Locality: Kamchatka peninsula, Russia
	_database_code_amcsd 0012367
	7.335 10.255 5.599 90 99.79 90 P2_1/c
	atom x y z Uiso
	Cu .4618 .14033 .9095 .0102
	Al .1455 .1770 .4355 .0080
	As .7257 .10839 .4261 .0082
	O1 .6231 .0407 .1596 .013
	O2 .9041 .1996 .3745 .0123
	O3 .5707 .1946 .5470 .0110
	O4 .2354 .2223 .7328 .0101
	O5 .1984 .0136 .3844 .013
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	Paratsepinite-Na
	Organova N I, Krivovichev S V, Shlyukova Z V, Zadov A E, Rozhdestvenskaya I V,
	Ivanova T I
	Crystallography Reports 49 (2004) 946-952
	Structure of new mineral paratsepinite-Na and its place in the labuntsovite
	group
	Locality: Khibiny massif, Mt Khibinpakhchorr, Russia
	_database_code_amcsd 0012388
	14.596 14.249 15.852 90 117.270 90 C2/m
	atom x y z occ Uiso
	K1 .5 .3194 .5 .2 .154
	BaK1 .5 .3194 .5 .05 .154
	K2 0 .6136 0 .2 .148
	SrK2 0 .6136 0 .2 .148
	Na1 .2511 0 .2532 .2 .026
	Na2 -.0327 .8701 -.0574 .6 .185
	Sr1 .7490 .5 .7485 .2 .0168
	CaSr1 .7490 .5 .7485 .2 .0168
	Sr2 .4667 .1232 .4366 .1 .199
	CaSr2 .4667 .1232 .4366 .1 .199
	Ti1 .2497 .73996 .2502 .6 .0271
	NbTi1 .2497 .73996 .2502 .4 .0271
	Ti2 .5000 .2500 .2503 .6 .0277
	NbTi2 .5000 .2500 .2503 .4 .0277
	Si1 .6937 .3892 .3823 .0139
	Si2 .3051 .1114 .1174 .0149
	Si3 .6953 .3886 .8957 .0136
	Si4 .8055 .3882 .6043 .0159
	O1 .4011 .2607 .3015 .022
	O2 .6716 .5 .8829 .030
	O3 .7420 .3597 .6587 .025
	O4 .7354 .3630 .4932 .028
	O5 .8263 .5 .6128 .033
	O6 .5745 .3588 .3281 .028
	O7 .0988 .7411 .1983 .0148
	O8 .5871 .3340 .8566 .028
	O9 .9136 .3350 .6441 .025
	O10 .7642 .3626 .0074 .035
	O11 .7635 .3357 .3442 .020
	O12 .7600 .3612 .8399 .018
	O13 .2361 .1655 .1559 .023
	O14 .4242 .1404 .1744 .025
	O15 .2913 0 .1282 .028
	O16 .7038 .5 .3684 .037
	Wat1 .561 .5 .665 .063
	Wat2 .930 .5 .830 .051
	Wat3 .074 0 .151 .147
	Wat4 .0716 .5 .6540 .3 .107
	Sr4 .0716 .5 .6540 .2 .107
	Wat5 .4099 .2587 .4964 .020
	Wat6 -.0889 .7435 -.0033 .0194
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	Alumoklyuchevskite
	Krivovichev S V, Filatov S K, Cherepansky P N
	Geology of Ore Deposits 51 (2009) 656-662
	The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4
	Locality: Great Tolbachik Fissure Eruption,
	Kamchatka Peninsula, Russia, 1975-1976
	_database_code_amcsd 0017777
	18.772 4.967 18.468 90 101.66 90 I2
	atom x y z occ Uiso
	K1 .5 .483 .5 .031
	K2 0 .464 .5 .025
	K3 .3700 .519 .7465 .020
	K4 .4294 .037 .2776 .034
	Cu1 .1866 .0018 .5327 .0211
	Cu2 .2600 -.0137 .4098 .0139
	Cu3 .1693 .4850 .4167 .0129
	AlMc .3025 .514 .5282 .64 .020
	FeMc .3025 .514 .5282 .36 .020
	S1 .1835 .503 .6259 .029
	S2 .3309 .487 .3649 .014
	S3 .0728 -.015 .3692 .013
	S4 .4059 .024 .6022 .019
	O1 .1838 .460 .7051 .04
	O2 .1338 .356 .5718 .04
	O3 .1607 .786 .6087 .017
	O4 .2603 .480 .6170 .017
	O5 .3563 .560 .4428 .005
	O6 .3894 .434 .3248 .04
	O7 .3124 .777 .3569 .033
	O8 .2650 .329 .3417 .034
	O9 .0067 -.048 .3160 .049
	O10 .0901 .700 .3594 .034
	O11 .0650 .024 .4453 .031
	O12 .1311 .156 .3551 .036
	O13 .4734 .028 .5763 .018
	O14 .4147 -.005 .6823 .023
	O15 .3845 .310 .5831 .028
	O16 .3476 .8556 .5651 .025
	O17 .232 .732 .480 .04
	O18 .233 .231 .476 .04
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	Averievite
	Starova G L, Krivovichev S V, Fundamensky V S, Filatov S K
	Mineralogical Magazine 61 (1997) 441-446
	The crystal structure of averievite, Cu5O2(VO4)2*nMX:
	comparison with related compounds
	Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005
	Locality: Main Tolbachik Fracture Eruption of Kamchatka
	_database_code_amcsd 0014526
	6.375 6.375 8.399 90 90 120 P3
	atom x y z occ Uiso
	Cu1 0 0 0 .018
	Cu2 .338 .161 .280 .0096
	Cu3 2/3 1/3 .5492 .023
	Cu4 1/3 2/3 .01774 .69 .06333
	Cu5 1/3 2/3 .53143 .32 .06333
	V1 2/3 1/3 -.032 .008
	V2 0 0 .584 .004
	O1 0 0 .785 .032
	O2 2/3 1/3 .339 .00887
	O3 0 0 .244 .01013
	O4 2/3 1/3 -.225 .009
	O5 .379 .186 .031 .029
	O6 .304 .143 .509 .017
	Cl1 1/3 2/3 .27140 .06333
	Cl2 1/3 2/3 .76793 .06333
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	Shannonite
	Krivovichev S V, Burns P C
	Mineralogical Magazine 64 (2000) 1063-1068
	Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic
	shannonite, Pb2O(CO3)
	Locality: synthetic
	_database_code_amcsd 0014550
	5.1465 9.014 9.315 90 90 90 P2_12_12_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .0101 .5556 .58425 .0185 .0188 .0163 .0204 .0012 .0004 .0003
	Pb2 .9673 .2439 .34664 .0219 .0336 .0190 .0129 .0001 .0014 .0013
	C .991 .492 .898 .018
	O1 .214 .485 .838 .032 .010 .055 .031 .018 .010 .000
	O2 .722 .502 .336 .022 .014 .021 .031 .006 .009 .005
	O3 .016 -.020 .455 .018 .015 .025 .015 .003 .009 .008
	O4 .043 .321 .572 .019 .028 .021 .008 .000 .005 .005
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	Plumbonacrite
	Krivovichev S V, Burns P C
	Mineralogical Magazine 64 (2000) 1069-1075
	Crystal chemistry of basic lead carbonates
	II. Crystal structure of synthetic `plumbonacrite'
	Locality: synthetic
	_database_code_amcsd 0014551
	9.0921 9.0921 24.923 90 90 120 P6_3cm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .6463 0 .0931 .0148 .015 .018 .012 .009 .000 0
	Pb2 0 0 .3171 .0174 .024 .024 .005 .0119 0 0
	Pb3 .6781 0 .4990 .0227 .021 .026 .023 .0130 .000 0
	Pb4 0 .2466 .2000 .0184 .035 .0100 .018 .0175 0 -.003
	Pb5 2/3 1/3 .2798 .0371 .024 .024 .064 .0119 0 0
	Pb6 .4265 .0788 .3914 .5 .0380 .031 .051 .022 .013 -0.001 .000
	C1 0 0 .110 .020
	C2 0 0 .465 .007
	C3 1/3 2/3 .112 .020
	C4 .323 .323 .302 .020
	C5 2/3 1/3 .486 .03
	OH1 .711 0 .1771 .020
	O2 .525 .199 .4814 .008
	O3 .469 .469 .2944 .005
	O4 0 .138 .4776 .019
	O5 0 0 .220 .05
	O6 2/3 1/3 .366 .020
	O7 .143 0 .102 .052
	O8 .185 .323 .2995 .034
	O9 .332 -0.190 .1226 .037
	OH10 .649 0 .4087 .018
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	Pb3O2(CO3)
	Krivovichev S V, Burns P C
	Mineralogical Magazine 64 (2000) 1077-1087
	Crystal chemistry of basic lead carbonates. III. Crystal structures of
	Pb3O2(CO3) and NaPb2(OH)(CO3)2
	Locality: synthetic
	_database_code_amcsd 0014552
	22.194 9.108 5.7405 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .42738 .25 .7828 .0082 .0059 .0089 .0097 0 .0010 0
	Pb2 .18557 -.25 .7855 .0096 .0047 .0122 .0120 0 -.0014 0
	Pb3 .32522 -.0487 .7845 .0132 .0188 .0083 .0124 -.0077 .0007 -.0001
	Pb4 .06986 .0226 .7821 .0140 .0168 .0150 .0103 -.0099 -.0010 -.0004
	C1 -.036 -.25 .741 .0120
	C2 .207 .25 .799 .0180
	O1 .1279 -.097 .532 .0080
	O2 .1288 -.098 .034 .0060
	O3 .146 .25 .785 .0150
	O4 .023 -.25 .787 .0120
	O5 -.0612 -.125 .710 .0220
	O6 .236 .127 .786 .0410
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	NaPb2(OH)(CO3)2
	Krivovichev S V, Burns P C
	Mineralogical Magazine 64 (2000) 1077-1087
	Crystal chemistry of basic lead carbonates. III. Crystal structures of
	Pb3O2(CO3) and NaPb2(OH)(CO3)2
	Locality: synthetic
	_database_code_amcsd 0014553
	5.276 5.276 13.474 90 90 120 P6_3mc
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 1/3 -1/3 .6503 .021 .031 .031 .000 .016 0 0
	Pb1 2/3 1/3 .8195 .018 .019 .019 .018 .010 0 0
	Pb2 1/3 2/3 .9883 .019 .023 .023 .011 .012 0 0
	OH3 2/3 1/3 .654 .046 .065 .065 .010 .032 0 0
	C1 0 0 .785 .015 .020 .020 .006 .010 0 0
	C2 0 0 .028 .016 .019 .019 .011 .010 0 0
	O1 .718 -.141 .7856 .020 .007 .018 .033 .004 .002 .001
	O2 .277 .1385 .0264 .025 .018 .023 .031 .009 -.005 -.002
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	Mereheadite
	Krivovichev S V, Turner R, Rumsey M, Sidra O I, Kirk C A
	Mineralogical Magazine 73 (2009) 103-117
	The crystal structure and chemistry of mereheadite
	Locality: Merehead Quarry, Cranmore, Somerset, England
	_database_code_amcsd 0014589
	17.372 27.9419 10.6661 90 93.152 90 Cm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .8572 .89881 .4134 .0234 .027 .021 .023 .0027 .004 .0024
	Pb2 .1633 .40752 -.2085 .0246 .030 .022 .023 -.003 .002 -.0009
	Pb3 -.2337 .20451 -.4239 .0230 .022 .021 .027 .000 .005 .0002
	Pb4 .9556 0 .1510 .0390 .057 .031 .031 0 .005 0
	Pb5 .0550 .3006 -.0108 .0239 .026 .022 .024 -.0013 .001 -.0024
	Pb6 -.0255 .20338 -.4337 .0245 .027 .023 .023 .0023 .002 .0014
	Pb7 .6842 .90091 .1552 .0238 .022 .023 .026 -.0006 .0005 .0010
	Pb8 .3728 .19248 .4016 .0227 .024 .023 .021 -.0029 -.0007 -.0004
	Pb9 .4755 .10024 .1902 .0223 .020 .020 .027 -.0009 .002 -.0037
	Pb10 -.1159 .09839 -.248 .0235 .029 .021 .020 -.0021 .0002 .0008
	Pb11 .2742 .10202 -.4109 .0221 .022 .023 .021 -.0027 .002 -.0020
	Pb12 .2895 0 .2769 .922 .0231 .026 .025 .019 0 .005 0
	Pb13 -.1090 .30524 -.2534 .0215 .024 .021 .019 .0035 -.002 -.0027
	Pb14 .1815 0 .7627 .0255 .024 .018 .034 0 .002 0
	Pb15 .0001 .39648 -.4400 .0230 .023 .022 .024 -.004 .0005 .001
	Pb16 .3694 .30180 .0606 .925 .0193 .019 .020 .019 .0010 .0001 -.0001
	Pb17 .0738 .10482 -.0231 .0280 .022 .026 .036 -.0017 .0005 -.007
	Pb18 .2055 .19920 .1320 .0286 .025 .028 .033 .0007 -.001 -.006
	Pb19 .7727 0 .6024 .0196 .022 .022 .015 0 .002 0
	Pb20 .5871 .19535 .3495 .0232 .019 .025 .026 -.001 -.0007 -.000
	Pb21 -.2215 0 -.0517 .0233 .019 .027 .024 0 -.0003 0
	Pb22 .1636 .19533 -.2287 .0237 .023 .022 .027 .0020 .005 .0016
	Pb23 .5670 0 .0102 .0231 .021 .024 .024 0 -.0006 0
	Pb24 .2904 .10332 -.0690 .0235 .024 .025 .022 .0013 .0007 -.0030
	Pb25 .6048 0 .3585 .0246 .025 .027 .022 0 .005 0
	Pb26 .3900 0 .7648 .0210 .018 .021 .024 0 .005 0
	Pb27 .1006 .10703 -.6403 .0293 .035 .030 .024 -.003 .004 .001
	Pb28 .9868 0 .5685 .030 .031 .029 .031 0 .005 0
	Cl1 .172 .1983 -.549 .034 .04 .040 .019 -.023 -.005 .003
	Cl2 -.020 .3989 -.122 .042 .038 .028 .061 -.006 .010 -.002
	Cl3 .359 0 .041 .033 .053 .036 .009 0 -.010 0
	Cl4 .179 0 .457 .038 .040 .022 .052 0 .015 0
	Cl5 .375 .4014 .078 .041 .048 .026 .051 -.002 .020 .004
	Cl6 .085 .1032 -.321 .040 .052 .024 .048 .005 .021 .015
	Cl7 .097 .5 -.303 .035 .020 .027 .061 0 .028 0
	Cl8 .763 0 .257 .039 .045 .030 .044 0 .031 0
	Cl9 .3938 .1983 .081 .025 .009 .019 .049 .004 .013 .003
	Cl10 .977 0 .858 .032 .047 .036 .012 0 -.010 0
	Cl11 .064 .3030 -.351 .022 .037 .015 .015 -.003 -.003 -.001
	Cl12 .267 .1021 .247 .036 .050 .021 .040 .007 .017 -.011
	Cl13 .480 .3015 -.125 .034 .042 .038 .019 -.000 -.009 .001
	Cl14 .289 .2981 .293 .034 .041 .017 .045 -.008 .022 -.004
	Cl15 .681 .8973 .468 .020 .014 .029 .019 .007 .002 -.000
	Pb1A .187 0 .157 .078 .020
	Pb2A .474 .303 .194 .075 .018
	O1 -.111 .359 -.410 .014
	O2 .273 .157 -.250 .019
	O3 .289 .053 .757 .031
	O4 .582 .946 .206 .016
	O5 .572 .153 .154 .020
	O6 .171 .446 -.025 .011
	O7 -.133 .254 -.417 .026
	O8 -.009 .357 -.625 .022
	O9 -.139 .1521 -.417 .010
	O10 .176 .154 -.042 .014
	O11 .775 .948 .766 .014
	O12 -.112 .050 -.418 .018
	OH1 .176 .050 -.049 .028
	OH2 -.022 .136 -.611 .032
	OH3 .478 .2433 .386 .008
	OH4 .093 .157 .184 .040
	OH5 .064 .051 .186 .036
	OH6 .948 0 .354 .062
	OH7 .585 .258 .145 .028
	C .424 0 .466 .069
	O1A .470 0 .385 .069
	O1B .405 .037 .525 .069
	B -.270 .198 -.116 .069
	O2A -.238 .173 -.192 .069
	O2B -.283 .240 -.085 .069
	O2C -.311 .167 -.057 .069
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	Rickturnerite
	Rumsey M S, Krivovichev S V, Siidra O I, Kirk C A, Stanley C J, Spratt J
	Mineralogical Magazine 76 (2012) 59-73
	Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral
	Locality: Torr Works (Merehead) quarry, Cranmore, Somerset, United Kingdom
	_database_code_amcsd 0018663
	5.8034 11.3574 12.9393 90 90 90 Pmm2
	atom x y z occ Uiso
	Pb1 .5 .7746 .60117 .0168
	Pb2 0 .7669 .1011 .0317
	Pb3 0 .7762 .8001 .0246
	Pb4 0 0 .6033 .0191
	Pb5 .5 0 .8000 .0175
	Pb6 .5 .7673 .2988 .0468
	Pb7 .5 0 .1031 .0265
	Pb8 0 0 .2991 .0355
	Pb9 .5 .5 .0015 .8 .0387
	Pb10 .5 .5 .072 .1 .022
	Pb11 0 .5 .4064 .78 .0288
	Pb12 0 .5 .4913 .22 .02
	Pb13 0 .5 .007 .1 .02
	Cl1 0 .750 .4604 .049
	Cl2 .5 .7498 .9618 .016
	Cl3 0 0 .9692 .012
	Cl4 .5 0 .4624 .036
	Mg .752 .5 .700 .024
	O1 .743 .8756 .706 .018
	O2 .754 .8687 .201 .035
	OH1 0 .371 .670 .034
	OH2 .5 .387 .718 .034
	OH3 .802 .5 .848 .034
	OH4 .311 .5 .528 .034
	OH5 .5 .626 .179 .51 .01
	OH6 .782 .577 .210 .25 .01
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	Clinobarylite
	Krivovichev S V, Yakovenchuk V N, Armbruster T, Mikhailova Y, Pakhomovsky Y A
	Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 373-384
	Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and
	physical properties
	Locality: Khibina alkaline massif, Kola Peninsula, Russia
	_database_code_amcsd 0014931
	11.650 4.922 4.674 90 90 90 Pmn2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .5 .2027 .5079 .0127 .01354 .01192 .01256 -.0002 0 0
	Be .75195 .1671 -.0147 .0067
	Si .6282 .67564 -.0141 .0064 .0044 .00579 .00900 -.0033 .0024 -.0010
	O1 .63911 .3521 -.9436 .0044
	O2 .77733 .1340 -.3534 .0072
	O3 .5 .7741 -.0767 .0144
	O4 .63300 .7324 -.3550 .0091
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	Mangan-neptunite
	Zolotarev A A, Krivovichev S V, Yakovenchuk V N
	Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 136 (2007) 118-123
	Refinement of the mangan-neptunite structure
	Locality: synthetic
	Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
	_database_code_amcsd 0015716
	16.4821 12.5195 10.0292 90 115.474 90 Cc
	atom x y z Uiso
	Si1 .14640 .40807 .0626 .0061
	Si2 .85522 .59502 -.0595 .0065
	Si3 .52338 .22472 .0836 .0070
	Si4 .47738 .77184 -.0855 .0062
	Si5 .76903 .47365 .1105 .0065
	Si6 .22894 .52406 .8915 .0065
	Si7 .89388 .15208 .0790 .0069
	Si8 .10519 .85221 -.0834 .0064
	Ti1 .34233 .32364 .10313 .0062
	Ti2 .08716 .05326 .11462 .0064
	Fe1 .66082 .68390 -.09788 .0118
	Fe2 -.08942 -.06065 .88539 .0122
	Na1 .2654 .1974 .3127 .0210
	Na2 .7368 .8012 .6971 .0170
	K -.00131 .42070 .2497 .0234
	Li .5007 .4349 .249 .0150
	O1 .9580 .0530 .0768 .0074
	O2 .0502 -.0437 -.0702 .0078
	O3 .4558 .3229 .0729 .0076
	O4 .5418 .6704 -.0658 .0090
	O5 .1086 .1672 .2606 .0095
	O6 .8878 .8261 .7290 .0124
	O7 .3705 .4295 .2227 .0105
	O8 .6216 .5498 .7383 .0115
	O9 .2052 .0727 .0992 .0087
	O10 .7901 -.0801 -.0894 .0087
	O11 .7116 .3650 .0386 .0097
	O12 .2900 .6307 -.0500 .0103
	O13 .2141 .3104 .0800 .0077
	O14 .7961 .6972 -.0649 .0086
	O15 .8319 .4954 .0236 .0094
	O16 .1672 .5105 -.0187 .0093
	O17 .1586 .4513 .2237 .0099
	O18 .8385 .5513 .7784 .0102
	O19 .3968 .2114 .2511 .0102
	O20 .6042 .7944 .7408 .0118
	O21 .4628 .1158 .0223 .0092
	O22 .5403 .8791 -.0266 .0087
	O23 .9252 .2609 .0225 .0092
	O24 .0684 .7458 -.0341 .0104
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	Manganoneptunite
	Zolotarev A A, Krivovichev S V, Yakovenchuk V N
	Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 136 (2007) 118-123
	Refinement of the mangan-neptunite structure
	Locality: synthetic
	Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
	_database_code_amcsd 0015717
	16.4821 12.5195 10.0292 90 115.474 90 Cc
	atom x y z Uiso
	Si1 .14640 .40807 .0626 .0061
	Si2 .85522 .59502 -.0595 .0065
	Si3 .52338 .22472 .0836 .0070
	Si4 .47738 .77184 -.0855 .0062
	Si5 .76903 .47365 .1105 .0065
	Si6 .22894 .52406 .8915 .0065
	Si7 .89388 .15208 .0790 .0069
	Si8 .10519 .85221 -.0834 .0064
	Ti1 .34233 .32364 .10313 .0062
	Ti2 .08716 .05326 .11462 .0064
	Fe1 .66082 .68390 -.09788 .0118
	Fe2 -.08942 -.06065 .88539 .0122
	Na1 .2654 .1974 .3127 .0210
	Na2 .7368 .8012 .6971 .0170
	K -.00131 .42070 .2497 .0234
	Li .5007 .4349 .249 .0150
	O1 .9580 .0530 .0768 .0074
	O2 .0502 -.0437 -.0702 .0078
	O3 .4558 .3229 .0729 .0076
	O4 .5418 .6704 -.0658 .0090
	O5 .1086 .1672 .2606 .0095
	O6 .8878 .8261 .7290 .0124
	O7 .3705 .4295 .2227 .0105
	O8 .6216 .5498 .7383 .0115
	O9 .2052 .0727 .0992 .0087
	O10 .7901 -.0801 -.0894 .0087
	O11 .7116 .3650 .0386 .0097
	O12 .2900 .6307 -.0500 .0103
	O13 .2141 .3104 .0800 .0077
	O14 .7961 .6972 -.0649 .0086
	O15 .8319 .4954 .0236 .0094
	O16 .1672 .5105 -.0187 .0093
	O17 .1586 .4513 .2237 .0099
	O18 .8385 .5513 .7784 .0102
	O19 .3968 .2114 .2511 .0102
	O20 .6042 .7944 .7408 .0118
	O21 .4628 .1158 .0223 .0092
	O22 .5403 .8791 -.0266 .0087
	O23 .9252 .2609 .0225 .0092
	O24 .0684 .7458 -.0341 .0104
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	Bradaczekite
	Krivovichev S V, Filatov S K, Burns P C
	Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 2001 (2001) 1-8
	The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite
	structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3
	_database_code_amcsd 0015718
	12.053 12.432 7.2529 90 117.793 90 C2/c
	atom x y z Uiso
	Na 0 .4924 .25 .0209
	Cu1 0 .00439 .25 .0099
	Cu2 .78021 .34367 .86019 .0108
	Cu3 0 .76511 .25 .0140
	As1 .22752 .38288 .12152 .0071
	As2 0 .22278 .25 .0076
	O1 .1672 .5053 .1180 .0128
	O2 .8970 .1230 .2418 .0107
	O3 .3819 .3893 .1763 .0136
	O4 .2212 .3075 .3080 .0106
	O5 .1456 .3328 .8786 .0108
	O6 -.0430 .2971 .0365 .0144
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	Kukharenkoite-(La)
	Krivovichev S V, Armbruster T, Pekov I V
	Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 132N3 (2003) 65-72
	Cation frameworks in structure of natural fluocarbonates of barium and
	rare-earth elements: crystal structure of kukharenkoite-(La), Ba2(La,Ce)(CO3)3F
	_database_code_amcsd 0015720
	13.396 5.111 6.672 90 106.628 90 P2_1/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba1 .07504 .25 .28997 .01915 .0170 .0216 .0188 0 .0051 0
	Ba2 .41632 .25 .68816 .01724 .0182 .0164 .0159 0 .0029 0
	La .76120 .25 .98914 .01418 .0154 .0119 .0148 0 .0037 0
	F .9294 .25 .9116 .0311 .030 .031 .030 0 .006 0
	C1 .7266 .25 .5101 .019 .014 .022 .018 0 .000 0
	C2 .4278 .25 .1737 .018 .028 .014 .017 0 .013 0
	C3 .1278 .25 .7956 .018 .017 .018 .021 0 .007 0
	O1 .1817 .25 .9901 .0225 .024 .020 .020 0 .001 0
	O2 .6983 .25 .3102 .0337 .040 .037 .023 0 .007 0
	O3 .4895 .25 .3583 .0281 .031 .031 .019 0 .003 0
	O4 .4003 .0335 .0776 .0300 .036 .020 .032 -.002 .005 -.004
	O5 .2619 .9664 .3871 .0293 .033 .016 .033 -.001 .001 .002
	O6 .8966 .9688 .2999 .0273 .034 .020 .026 -.004 .007 -.002
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