Namibite
	Kolitsch U, Giester G
	American Mineralogist 85 (2000) 1298-1301
	The crystal structure of namibite, Cu(BiO)2VO4(OH), and a revision
	of its symmetry
	_database_code_amcsd 0002512
	6.210 7.398 7.471 90.10 108.73 107.47 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 .50921 .12785 .29598 .01223 .00966 .00969 .00344 .00483 .00122
	Bi2 .47248 -.37572 .28136 .01125 .01026 .01165 .00216 .00591 .00028
	Cu1 0 .5 .5 .0045 .0047 .0159 -.0004 .0053 -.0004
	Cu2 0 0 .5 .0045 .0061 .0154 .0012 .0041 .0026
	V .0960 .2764 .9244 .0103 .0120 .0104 .0029 .0020 -.0005
	O1 .2153 .4896 .8588 .0210 .0180 .0240 .0040 .0070 .0050
	O2 .2105 .1250 .8489 .0240 .0200 .0180 .0110 .0060 -.0010
	O3 -.2166 .2010 .8288 .0140 .0160 .0140 .0050 .0020 .0020
	O4 .2093 .3043 .1742 .0110 .0100 .0130 .0020 .0020 .0000
	O5 .6647 .4108 .4834 .0010 .0130 .0090 -.0001 .0008 -.0017
	OH6 .9568 .2369 .4109 .0110 .0060 .0230 .0016 .0060 .0040
	O7 .6612 -.0815 .4842 .0060 .0110 .0070 -.0001 .0015 .0028
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	Elyite
	Kolitsch U, Giester G
	American Mineralogist 85 (2000) 1816-1821
	Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data
	_database_code_amcsd 0002598
	14.233 11.532 14.611 90 100.45 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)
	Pb1 .76199 .24357 .167887 .02173 .01424 .01158 -.00057 .00177 .00083
	Pb2 .886214 -.02750 .07928 .01177 .01353 .02118 .00018 .00491 -.00124
	Pb3 .882928 .01208 .54651 .01092 .01528 .02152 -.00171 .00120 .00059
	Pb4 .73814 -.24952 .405103 .01619 .01425 .01306 .00095 .00477 .00180
	Pb5 .75268 .23200 -.075258 .01742 .01608 .01398 .00005 .00553 -.00243
	Pb6 .74581 -.23237 .652309 .01706 .01538 .01310 .00016 .00146 -.00274
	Pb7 .627551 .00700 .49958 .01130 .01344 .01977 .00175 .00427 -.00042
	Pb8 .629953 -.00198 .03815 .01138 .01334 .01997 -.00096 .00170 -.00056
	Cu1 .75912 .00198 .29219 .0191 .0145 .0146 .0000 .0040 -.0015
	Cu2 .49357 -.24673 .47751 .0113 .0124 .0140 -.0024 .0029 -.0004
	S1 .59143 -.00318 -.23283 .0196 .0198 .0121 .0032 .0025 -.0025
	S2 .01662 .22104 .08822 .0128 .0189 .0202 -.0003 .0027 .0007
	O1 .5301 .0978 -.2246 .027 .030 .020 .013 -.002 -.005
	O2 .6535 .0213 -.3017 .027 .034 .023 -.005 .012 -.002
	O3 .5304 -.1047 -.2629 .028 .029 .031 -.009 .010 -.006
	O4 .6539 -.0264 -.1421 .032 .031 .017 .015 -.009 -.005
	O5 .0696 .3283 .0835 .027 .020 .076 -.007 -.001 .005
	O6 .0842 .1247 .1069 .023 .022 .042 .006 -.001 .010
	O7 .9610 .2271 .1629 .025 .093 .022 .009 .008 -.008
	O8 .9519 .2019 -.0006 .017 .035 .023 .000 .002 .004
	O9 .7601 .3546 .0454 .016 .011 .013 -.0012 .001 -.0005
	O10 .7642 .0999 .0629 .012 .011 .018 .0022 .001 -.0009
	O11 .7547 -.1465 .0347 .016 .012 .013 -.0015 .004 -.0018
	O12 .7562 -.1038 .5176 .010 .011 .018 -.0015 .000 -.003
	O(H1) .6679 -.0752 .1993 .023 .021 .015 -.003 .004 -.004
	O(H2) .6662 .0746 .3539 .017 .019 .019 -.002 .004 -.002
	O(H3) .8523 .0751 .3882 .017 .018 .020 -.003 .005 -.002
	O(H4) .8569 -.0609 .2282 .025 .033 .019 .010 .003 .001
	O(H5) .5766 -.1780 .4030 .014 .022 .011 -.005 .002 -.002
	O(H6) .4056 -.3004 .5536 .014 .024 .016 -.003 .004 .002
	O(H7) .5880 -.2011 .5833 .014 .027 .017 .002 .005 -.002
	O(H8) .4041 -.3094 .3733 .016 .025 .015 -.006 .005 -.005
	O(W1) .0390 .2145 .3520 .034 .057 .031 .012 .013 .005
	O(W2) .8493 .4822 .2362 .040 .039 .044 -.008 .007 -.018
	H1 .638 -.090 .233 .06
	H2 .634 .114 .328 .04
	H3 .898 .078 .363 .05
	H4 .912 -.073 .271 .05
	H5 .565 -.177 .352 .07
	H6 .441 -.303 .596 .06
	H7 .547 -.184 .614 .04
	H8 .440 -.308 .336 .06
	H9 .995 .224 .376 .05
	H10 .889 .522 .283 .06
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	Ronneburgite
	Witzke T, Zhen S, Seff K, Doering T, Nasdala L, Kolitsch U
	American Mineralogist 86 (2001) 1081-1086
	Ronneburgite, K2MnV4O12, a new mineral from Ronneburg, Thuringia, Germany:
	Description and crystal structure
	_database_code_amcsd 0002672
	8.183 9.247 8.651 90 109.74 90 P2_1/n
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn 0 0 0 .0111 .0112 .0090 .0008 .0019 .0007
	V1 .16696 .21242 .37929 .0098 .0133 .0082 -.0014 .0014 -.0010
	V2 -.19886 .44235 .26056 .0121 .0147 .0101 .0008 .0014 .0008
	K -.1420 .19750 .5925 .0245 .0227 .0204 .0015 .0107 -.0001
	O1 .1829 .0915 .5440 .0251 .0222 .0111 -.0028 .0026 .0033
	O2 -.0247 .3158 .3435 .0231 .0373 .0217 .0153 .0043 .0063
	O3 .1518 .1169 .2130 .0236 .0246 .0135 -.0053 .0051 -.0097
	O4 .3389 .3168 .4142 .0225 .0176 .0205 -.0090 .0069 -.0049
	O5 -.3351 .4264 .3650 .0201 .0241 .0197 .0047 .0095 -.0008
	O6 -.1272 .6059 .2727 .0361 .0222 .0330 -.0122 .0056 -.0031
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	Lakebogaite
	Mills S J, Birch W D, Kolitsch U, Mumme W G, Grey I E
	American Mineralogist 93 (2008) 691-697
	Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a
	unique crystal structure from Victoria, Australia
	Locality: Upper Devonian granite, near Lake Boga, northern Victoria, Australia
	_database_code_amcsd 0004567
	19.6441 7.0958 18.7029 90 115.692 90 Cc
	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 .0322 .5094 .1651 .888 .006 .003 .011 .004 .000 .001 -.001
	U2 .9593 .5014 .8378 .016 .014 .025 .012 -.001 .008 -.002
	Fe1 .2471 .7326 .5022 .013 .012 .019 .011 -.001 .007 -.001
	Fe2 .2459 .2302 .5032 .91 .011 .009 .016 .010 .003 .005 -.001
	Al2 .2459 .2302 .5032 .09 .011 .009 .016 .010 .003 .005 -.001
	P1 .3711 .9773 .4742 .013 .011 .024 .004 .003 .005 .000
	P2 .6225 .9882 .5323 .011 .007 .020 .007 .003 .004 .002
	P3 .1521 .4703 .3417 .011 .004 .025 .004 -.002 .002 -.005
	P4 .8385 .4940 .6595 .017 .015 .022 .014 -.002 .006 -.003
	Ca1 .2678 .2311 .2990 .87 .014 .016 .017 .017 .005 .013 .000
	Na1 .2678 .2311 .2990 .13 .014 .016 .017 .017 .005 .013 .000
	Na2 .7159 .7405 .6913 .036 .032 .035 .048 .012 .024 .019
	O1 .3370 .1460 .4967 .019
	O2 .4463 .9223 .5409 .016
	O3 .3165 .8069 .4528 .018
	O4 .3798 .0352 .3975 .017
	O5 .6102 .9406 .6038 .018
	O6 .6537 .8158 .5098 .023
	O7 .6750 .1568 .5499 .016
	O8 .5460 .0415 .4624 .027
	O9 .1645 .4920 .2675 .013
	O10 .1749 .6433 .3953 .014
	O11 .1981 .2967 .3868 .017
	O12 .0650 .4359 .3097 .014
	O13 .8188 .3206 .6110 .022
	O14 .7908 .6620 .6195 .019
	O15 .9251 .5329 .6925 .015
	O16 .8321 .4603 .7399 .019
	O17 .0360 .7502 .1870 .025
	O18 .0292 .2606 .1454 .021
	O19 .9526 .7509 .8460 .036
	O20 .9656 .2492 .8259 .033
	OH1 .2918 .4809 .5284 .018
	OH2 .1971 .9798 .4733 .017
	Wat1 .3490 .4715 .3907 .048
	Wat2 .2112 .9241 .3021 .031
	Wat3 .2958 .4679 .2152 .046
	Wat4 .1706 .1125 .1614 .044
	Wat5 .5519 .4796 .4587 .011
	Wat6 .4546 .5083 .5248 .057
	Wat7 .4160 .4894 .6819 .024
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	Birchite
	Elliot P, Brugger J, Pring A, Cole M L, Willis A C, Kolitsch U
	American Mineralogist 93 (2008) 910-917
	Birchite, a new mineral from Broken Hill, New South Wales, Australia:
	Description and structure refinement
	Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia
	_database_code_amcsd 0004585
	10.4768 20.8938 6.1640 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)
	Cd .90709 .60270 .54392 .0237 .0252 .0243 .0216 -.0024 .0028 -.0007
	Cu .10856 .56327 .12074 .0192 .0231 .0232 .0113 -.0005 -.0001 .0042
	P .1735 .54334 .6333 .0163 .0201 .0177 .0111 -.0012 .0002 .0014
	S .9468 .75 .7596 .0239 .027 .0210 .024 0 .0003 0
	O1 .9880 .75 .9852 .034 .029 .044 .028 0 -.017 0
	O2 .8066 .75 .7490 .024 .029 .026 .017 0 -.004 0
	O3 .9999 .6926 .6491 .038 .031 .033 .052 -.015 .010 .002
	O4 .2888 .5865 .6574 .0202 .022 .019 .020 -.008 .001 -.004
	O5 .0764 .5489 .8175 .0196 .016 .032 .010 -.008 .002 .004
	O6 .2181 .4729 .6099 .0191 .022 .018 .017 -.003 .000 .008
	O7 .0925 .5617 .4298 .0192 .022 .027 .009 .003 -.004 .004
	Wat1 .9503 .6211 .1418 .0218 .031 .019 .015 -.003 -.004 .004
	Wat2 .2212 .6593 .0593 .0211 .017 .020 .026 .007 -.001 .001
	Wat3 .6947 .75 .1385 .030 .028 .040 .023 0 .001 0
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	Joelbruggerite
	Mills S J, Kolitsch U, Miyawaki R, Groat L A, Poirier G
	American Mineralogist 94 (2009) 1012-1017
	Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite,
	from the Black Pine mine, Montana
	Locality: the Black Pine mine, Montana, USA
	_database_code_amcsd 0004959
	8.4803 8.4803 5.2334 90 90 120 P321
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .40396 0 0 .0261 .0309 .0270 .0191 .0135 -.00121 -.0024
	Sb 0 0 0 .57 .0182 .0226 .0226 .0093 .0113 0 0
	Te 0 0 0 .43 .0182 .0226 .0226 .0093 .0113 0 0
	Zn 0 -.2450 .5 .0248 .0215 .0333 .0158 .0107 -.0003 -.0001
	As 1/3 2/3 .4738 .0215 .0188 .0188 .0270 .0094 0 0
	O1 -.127 -.2180 .212 .040 .043 .043 .030 .018 -.001 .012
	O2 -.202 -.460 .669 .055 .056 .055 .038 .015 .007 .000
	O3 1/3 2/3 -.204 .023 .024 .024 .021 .012 0 0
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	Liversidgeite
	Elliott P, Giester G, Libowitzky E, Kolitsch U
	American Mineralogist 95 (2010) 397-404
	Description and crystal structure of liversidgeite, Zn6(PO4)4*7H2O,
	a new mineral from Broken Hill, New South Wales, Australia
	Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia
	_database_code_amcsd 0005033
	8.299 9.616 12.175 71.68 82.02 80.18 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)
	Zn1 .03028 .40116 .12441 .0119 .0105 .0141 .0102 -.0015 -.0002 -.0042
	Zn2 .42699 .39460 .12045 .01177 .0121 .0102 .0114 -.0008 -.0005 -.0025
	Zn3 .92638 .12078 .38843 .0117 .0105 .0136 .0095 -.0016 .0008 -.0021
	Zn4 .52516 .13951 .39429 .0129 .0120 .0128 .0120 .0006 -.0008 -.0053
	Zn5 .81612 .40022 .49691 .0132 .0163 .0131 .0100 -.0032 .0012 -.0037
	Zn6 .64560 .33973 .74866 .0177 .0205 .0182 .0149 -.0082 -.0032 .0033
	P1 .2086 .6991 .02141 .0078 .0079 .0081 .0075 -.0025 -.0008 -.0011
	P2 .6794 .4369 .28472 .0077 .0084 .0063 .0080 -.0013 .0010 -.0028
	P3 .1753 .3613 .36516 .0074 .0089 .0071 .0062 -.0016 .0009 -.0031
	P4 .2910 .9158 .37199 .0073 .0067 .0079 .0071 -.0021 .0012 -.0026
	O1 .0677 .6148 .0218 .0132 .015 .014 .009 -.001 .001 -.003
	O2 .2031 .8396 -.0822 .0130 .009 .013 .014 -.002 .001 .000
	O3 .3744 .6021 .0098 .0119 .011 .012 .010 -.001 .007 -.004
	O4 .1947 .7373 .1365 .0138 .018 .013 .010 -.001 -.002 -.004
	O5 .8043 .4742 .1804 .0162 .012 .025 .009 -.002 .005 -.004
	O6 .6928 .5217 .3695 .0177 .023 .016 .014 -.003 -.004 -.004
	O7 .7035 .2698 .3497 .0105 .008 .012 .012 -.002 .002 -.007
	O8 .5050 .4795 .2414 .0127 .010 .015 .014 -.007 .003 -.002
	O9 .3076 .2489 .4275 .0121 .014 .009 .008 .0039 -.003 .000
	O10 .1726 .5127 .3821 .0176 .026 .012 .017 -.009 .001 -.004
	O11 .2020 .3805 .2346 .0103 .010 .014 .007 -.0022 .0004 -.006
	O12 .0069 .3072 .4133 .0102 .011 .013 .008 -.004 .0022 -.005
	O13 .2963 .0072 .2447 .0128 .017 .013 .010 -.002 -.001 -.006
	O14 .1269 .9595 .4349 .0119 .012 .012 .012 -.004 .001 -.003
	O15 .4312 .9409 .4301 .0096 .011 .009 .009 -.0027 .0020 -.006
	O16 .3041 .7509 .3821 .0113 .013 .011 .009 -.002 .003 -.006
	O17 .0070 .1697 .2131 .0137 .015 .015 .012 -.003 -.001 -.006
	H1 -.078 .148 .190 .02
	H2 .108 .124 .202 .06
	O18 .2664 .3276 .0254 .0133 .012 .015 .010 -.001 -.002 -.001
	H3 .293 .232 .039 .05
	H4 .259 .380 -.050 .04
	O19 .7807 .9662 .3748 .0143 .015 .010 .014 .004 .002 -.007
	H5 .824 .952 .309 .03
	H6 .768 .882 .431 .05
	O20 .5167 .1782 .2098 .0144 .013 .011 .017 .001 .002 -.006
	H7 .444 .117 .212 .08
	H8 .613 .173 .171 .10
	O21 .4575 .2074 .8254 .0389 .035 .030 .047 -.012 .019 -.009
	H9 .495 .128 .886 .16
	H10 .412 .180 .771 .17
	O22 .8697 .7764 .2441 .0396 .039 .033 .047 -.017 .009 -.005
	H11 .827 .689 .280 .09
	H12 .977 .749 .222 .07
	O23 .2714 .0512 .0136 .064 .134 .039 .033 -.018 .010 -.046
	H13 .253 -.006 -.031 .09
	H14 .216 .018 .085 .10
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	Kuksite
	Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
	American Mineralogist 95 (2010) 933-938
	The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
	and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
	Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA
	_database_code_amcsd 0005047
	8.392 8.392 5.204 90 90 120 P321
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .40881 0 0 .0295 .0322 .0299 .0255 .01497 .00031 .0006
	Te 0 0 0 .0224 .0254 .0254 .0164 .0127 0 0
	Zn 0 -.2478 .5 .0260 .0232 .0314 .0208 .0116 .0023 .0012
	P 1/3 2/3 .5314 .797 .0261 .0264 .0264 .026 .0132 0 0
	As 1/3 2/3 .5314 .202 .0261 .0264 .0264 .026 .0132 0 0
	O1 -.1224 -.2161 .7878 .036 .038 .040 .027 .017 .005 -.015
	O2 .5251 -.1969 .6560 .056 .037 .067 .026 -.001 .009 -.009
	O3 1/3 2/3 .238 .038 .035 .035 .042 .018 0 0
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	Kuksite
	Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
	American Mineralogist 95 (2010) 933-938
	The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
	and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
	Locality: Blue Bell claims, Baker, San Bernardino County, California, USA
	_database_code_amcsd 0005048
	8.3942 8.3942 5.1847 90 90 120 P321
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .4087 0 0 .0307 .0316 .0409 .0228 .0205 .0016 .0032
	Te 0 0 0 .0194 .0248 .0248 .0086 .0124 0 0
	Zn 0 -.2509 .5 .0214 .0229 .0249 .0156 .0114 .0011 -.0005
	P 1/3 2/3 .5329 .67 .022 .020 .020 .024 .010 0 0
	As 1/3 2/3 .5329 .33 .022 .020 .020 .024 .010 0 0
	O1 -.1229 -.2174 .7884 .034 .032 .041 .030 .018 -.001 -.007
	O2 .5224 -.2023 .6613 .064 .046 .060 .051 .001 .004 -.006
	O3 1/3 2/3 .2456 .038 .039 .039 .035 .020 0 0
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	Yafsoanite
	Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
	American Mineralogist 95 (2010) 933-938
	The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
	and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
	Locality: Delbe orebody, Aldan Shield, Saha Republic, Russia
	_database_code_amcsd 0005049
	12.6350 12.6350 12.6350 90 90 90 Ia3d
	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 0 .25 .125 .912 .0179 .0160 .0160 .0217 .0034 0 0
	Pb 0 .25 .125 .088 .0179 .0160 .0160 .0217 .0034 0 0
	Te 0 0 0 .0097 .0097 .0097 .0097 .0007 .0007 .0007
	Zn 0 .25 .375 .957 .0131 .0141 .0141 .0111 0 0 0
	O -.0273 .0489 .1419 .0149 .012 .017 .016 .000 .003 -.001
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	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
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	Uranosphaerite
	Hughes K-A, Burns P C, Kolitsch U
	The Canadian Mineralogist 41 (2003) 677-685
	Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
	Note: natural sample
	Locality: Clara barite and fluorite mine, Black Forest, Germany
	_database_code_amcsd 0005845
	7.559 7.811 7.693 90 92.88 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)
	U .15866 .99182 .31567 .0135 .0139 .0169 .0100 .000 .0050 -.0002
	Bi .11052 .60575 .66482 .0162 .0164 .0197 .0129 .0004 .0036 .0001
	O1 .177 .6024 .0500 .025 .027 .029 .019 .001 .001 -.001
	O2 -.0077 .8842 .1786 .026 .019 .037 .021 -.002 .002 -.011
	O3 .0710 .8511 .5586 .023 .028 .021 .020 .008 .014 .007
	O4 -.1460 .5069 .5907 .019 .014 .022 .022 -.004 .008 -.008
	OH5 -.1196 .7422 .8413 .017 .023 .016 .011 .001 .005 .001
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	Uranosphaerite
	Hughes K-A, Burns P C, Kolitsch U
	The Canadian Mineralogist 41 (2003) 677-685
	Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
	Note: synthetic sample
	_database_code_amcsd 0005846
	7.540 7.801 7.674 90 92.948 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)
	U .15796 -.00914 .31531 .0215 .0211 .0234 .0204 -.0003 .0052 -.0002
	Bi .10974 .60517 .66556 .0231 .0228 .0245 .0223 .0004 .0045 .0004
	O(1) .184 .603 .050 .032 .034 .039 .025 .005 .001 .007
	O(2) -.008 .883 .179 .032 .029 .040 .028 .004 .001 -.004
	O(3) .070 .850 .563 .027 .029 .020 .032 .001 .014 .005
	O(4) -.150 .507 .590 .030 .026 .038 .028 -.013 .009 -.011
	OH(5) -.119 .741 .840 .026 .031 .029 .018 -.002 .004 .000
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	Waterhouseite
	Pring A, Kolitsch U, Birch W D
	The Canadian Mineralogist 43 (2005) 1401-1410
	Description and unique crystal-structure of waterhouseite,
	a new hydroxy manganese phosphate species from the Iron Monarch deposit,
	Middleback Ranges, South Australia
	Locality: Iron Monarch mine, Iron Knob, South Australia
	_database_code_amcsd 0006050
	11.364 5.570 10.455 90 96.61 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)
	Mn1 .5 0 .5 .0121 .0126 .0114 .0124 .0004 .0018 -.0002
	Mn2 .04797 .53843 .36737 .0147 .0143 .0161 .0143 -.0014 .0037 -.0016
	Mn3 .18562 .51473 .10420 .0132 .0130 .0137 .0130 -.0004 .0019 .0006
	Mn4 .42873 .00344 .14595 .0133 .0153 .0115 .0132 -.0012 .0018 -.0002
	P .27486 .3048 .35133 .0099 .0082 .0114 .0100 .0010 .0002 .0000
	O1 .2819 .1883 .2186 .0156 .012 .019 .015 .0019 .0005 -.0008
	O2 .1796 .1845 .4256 .0177 .019 .019 .015 .0007 .0013 .0026
	O3 .3986 .3147 .4344 .0156 .013 .017 .016 -.0007 -.0007 .0029
	O4 .2326 .5696 .3215 .0157 .018 .014 .015 .0026 .0022 -.0016
	OH5 .3432 .6954 .0569 .0144 .014 .0145 .014 -.0013 .0028 .0005
	OH6 .5401 .3039 .1800 .0152 .017 .0142 .014 -.0030 -.0016 -.0030
	OH7 .0206 .3925 .1718 .0154 .015 .015 .017 -.0025 .0034 .0027
	OH8 .1019 .6346 .5682 .0158 .014 .018 .016 .0000 .0014 -.0023
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	Ferro-axinite
	Filip J, Kolitsch U, Novak M, Schneeweiss O
	The Canadian Mineralogist 44 (2006) 1159-1170
	The crystal structure of near-end-member ferroaxinite from an iron-contaminated
	pegmatite at Malesov, Czech Republic
	Locality: Malesov, Czech Republic
	_database_code_amcsd 0006111
	7.152 9.206 8.962 91.84 98.17 77.33 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)
	CaX1 .74654 .34815 .39531 .00780 .00888 .00599 .00774 -.00090 -.00066 .00133
	CaX2 .18294 .10007 .08383 .00845 .00941 .00784 .00767 -.00303 -.00257 .00229
	FeY .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209 .00081 .00305
	MgY .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209 .00081 .00305
	AlZ1 .05241 .80071 .25398 .9837 .00379 .00382 .00396 .00362 -.00084 .00061 .00019
	FeZ1 .05241 .80071 .25398 .0163 .00379 .00382 .00396 .00362 -.00084 .00061 .00019
	AlZ2 .35207 .93593 .42115 .00415 .00418 .00429 .00414 -.00133 .00059 -.00033
	BT5 .46146 .63436 .28684 .00474 .0046 .0049 .0047 -.0009 .0008 -.0004
	SiT1 .21024 .44997 .23430 .00447 .00501 .00399 .00438 -.00106 .00035 .00039
	SiT2 .21917 .27475 .52333 .00379 .00349 .00387 .00406 -.00101 .00036 .00019
	SiT3 .69820 .25644 .01151 .00459 .00519 .00459 .00374 -.00041 .00070 .00040
	SiT4 .64140 .01946 .23044 .00413 .00392 .00491 .00372 -.00115 .00077 .00019
	O1 .05360 .60321 .18957 .00670 .0068 .0049 .0078 -.0006 -.0002 .0002
	O2 .23119 .33833 .09578 .00882 .0116 .0072 .0077 -.0019 .0018 -.0021
	O3 .41844 .48704 .31215 .00670 .0055 .0053 .0095 -.0023 -.0005 .0013
	O4 .13537 .37210 .36980 .00996 .0083 .0132 .0087 -.0032 -.0003 .0062
	O5 .02163 .24270 .56436 .00626 .0051 .0087 .0057 -.0026 .0014 .0009
	O6 .32702 .38060 .64393 .00649 .0048 .0061 .0081 -.0015 -.0005 -.0019
	O7 .38056 .12747 .49578 .00539 .0046 .0045 .0067 -.0006 .0005 -.0014
	O8 .53476 .34395 .87689 .00692 .0072 .0080 .0048 .0007 .0014 .0014
	O9 .87563 .15555 .93367 .00590 .0057 .0061 .0055 -.0001 .0017 -.0002
	O10 .76780 .36672 .13914 .00874 .0113 .0081 .0068 -.0028 .0006 -.0017
	O11 .60268 .13512 .08713 .00901 .0100 .0099 .0078 -.0032 .0009 .0044
	O12 .43624 .98117 .24413 .00590 .0048 .0086 .0051 -.0027 .0011 .0007
	O13 .72081 .10006 .38469 .00604 .0070 .0071 .0045 -.0027 .0008 -.0010
	O14 .79432 .87507 .17743 .00700 .0050 .0081 .0067 .0008 .0003 -.0011
	O15 .32502 .74622 .35434 .00497 .0046 .0047 .0057 -.0008 .0011 -.0011
	Oh16 .09682 .99539 .32260 .00578 .0047 .0062 .0064 -.0007 .0014 -.0009
	H .993 .963 .631 .021
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	Axinite-(Fe)
	Filip J, Kolitsch U, Novak M, Schneeweiss O
	The Canadian Mineralogist 44 (2006) 1159-1170
	The crystal structure of near-end-member ferroaxinite from an iron-contaminated
	pegmatite at Malesov, Czech Republic
	Locality: Malesov, Czech Republic
	_database_code_amcsd 0006112
	7.152 9.206 8.962 91.84 98.17 77.33 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)
	CaX1 .74654 .34815 .39531 .00780 .00888 .00599 .00774 -.00090 -.00066 .00133
	CaX2 .18294 .10007 .08383 .00845 .00941 .00784 .00767 -.00303 -.00257 .00229
	FeY .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209 .00081 .00305
	MgY .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209 .00081 .00305
	AlZ1 .05241 .80071 .25398 .9837 .00379 .00382 .00396 .00362 -.00084 .00061 .00019
	FeZ1 .05241 .80071 .25398 .0163 .00379 .00382 .00396 .00362 -.00084 .00061 .00019
	AlZ2 .35207 .93593 .42115 .00415 .00418 .00429 .00414 -.00133 .00059 -.00033
	BT5 .46146 .63436 .28684 .00474 .0046 .0049 .0047 -.0009 .0008 -.0004
	SiT1 .21024 .44997 .23430 .00447 .00501 .00399 .00438 -.00106 .00035 .00039
	SiT2 .21917 .27475 .52333 .00379 .00349 .00387 .00406 -.00101 .00036 .00019
	SiT3 .69820 .25644 .01151 .00459 .00519 .00459 .00374 -.00041 .00070 .00040
	SiT4 .64140 .01946 .23044 .00413 .00392 .00491 .00372 -.00115 .00077 .00019
	O1 .05360 .60321 .18957 .00670 .0068 .0049 .0078 -.0006 -.0002 .0002
	O2 .23119 .33833 .09578 .00882 .0116 .0072 .0077 -.0019 .0018 -.0021
	O3 .41844 .48704 .31215 .00670 .0055 .0053 .0095 -.0023 -.0005 .0013
	O4 .13537 .37210 .36980 .00996 .0083 .0132 .0087 -.0032 -.0003 .0062
	O5 .02163 .24270 .56436 .00626 .0051 .0087 .0057 -.0026 .0014 .0009
	O6 .32702 .38060 .64393 .00649 .0048 .0061 .0081 -.0015 -.0005 -.0019
	O7 .38056 .12747 .49578 .00539 .0046 .0045 .0067 -.0006 .0005 -.0014
	O8 .53476 .34395 .87689 .00692 .0072 .0080 .0048 .0007 .0014 .0014
	O9 .87563 .15555 .93367 .00590 .0057 .0061 .0055 -.0001 .0017 -.0002
	O10 .76780 .36672 .13914 .00874 .0113 .0081 .0068 -.0028 .0006 -.0017
	O11 .60268 .13512 .08713 .00901 .0100 .0099 .0078 -.0032 .0009 .0044
	O12 .43624 .98117 .24413 .00590 .0048 .0086 .0051 -.0027 .0011 .0007
	O13 .72081 .10006 .38469 .00604 .0070 .0071 .0045 -.0027 .0008 -.0010
	O14 .79432 .87507 .17743 .00700 .0050 .0081 .0067 .0008 .0003 -.0011
	O15 .32502 .74622 .35434 .00497 .0046 .0047 .0057 -.0008 .0011 -.0011
	Oh16 .09682 .99539 .32260 .00578 .0047 .0062 .0064 -.0007 .0014 -.0009
	H .993 .963 .631 .021
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	Cs3YSi8O19
	Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E
	The Canadian Mineralogist 47 (2009) 421-431
	Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19
	Locality: synthetic
	_database_code_amcsd 0006289
	11.476 7.059 26.971 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)
	Cs1 .08478 .25 .452882 .02132 .02058 .02209 .02129 .000 .00045 .000
	Cs2 .44859 .25 .452902 .02050 .01708 .02085 .02357 .000 -.00009 .000
	Cs3a -.06384 .25 .27777 .7550 .0595 .0881 .0253 .0651 .000 -.0516 .000
	Cs3b .0513 .25 .2318 .100 .084 .124 .0170 .111 .000 -.104 .000
	Cs3c -.3717 .25 .3112 .082 .141 .158 .151 .114 .000 -.025 .000
	Cs3d -.2447 .0362 .3026 .0314 .052 .064 .084 .008 .010 .011 .003
	Y .27068 .75 .444322 .00861 .00849 .00964 .00771 .000 -.00021 .000
	Sil .25429 .03007 .33403 .00964 .0112 .0066 .0111 .0000 -.00050 .0006
	Si2 .06203 .25 .79791 .00855 .0090 .0094 .0072 .000 -.0010 .000
	Si3 -.05905 .25 .69138 .00923 .0085 .0108 .0084 .000 -.0017 .000
	Si4 .04507 .25 .58776 .00940 .0070 .0108 .0104 .000 .0013 .000
	Si5 -.24528 .03584 .43776 .00959 .0102 .0076 .0110 .0000 -.00038 -.0015
	Si6 .42692 .25 .60258 .01003 .0078 .0124 .0099 .000 -.0017 .000
	O1 .26638 -.0041 .39112 .0216 .0337 .0179 .0130 .0006 .0004 .0063
	O2 .2499 .25 .31699 .0161 .0276 .0059 .0146 .000 -.0020 .000
	O3 .13989 .0610 .80173 .0259 .0287 .0217 .0273 .0140 -.0120 -.0031
	O4 -.13496 .0600 .68895 .0298 .0257 .0180 .0457 -.0099 -.0181 .0049
	O5 .0078 .25 .74333 .0199 .0190 .0312 .0095 .000 -.0055 .000
	O6 -.0393 .25 .83851 .0214 .0231 .0290 .0121 .000 .0081 .000
	O7 .0360 .25 .64806 .0337 .0225 .067 .0114 .000 .0050 .000
	O8 -.0751 .25 .55988 .0205 .0101 .0285 .0228 .000 -.0047 .000
	O9 -.12050 -.0642 .42692 .0256 .0157 .0195 .0415 .0069 .0016 -.0066
	O10 .27715 -.0326 .50513 .0183 .0303 .0138 .0108 -.0034 .0018 -.0011
	O11 .34430 .0633 .59686 .0210 .0212 .0211 .0209 -.0098 -.0053 -.0027
	O12 -.2322 .25 .41536 .0162 .0273 .0068 .0146 .000 .0041 .000
	O13 .5338 .25 .56619 .0228 .0107 .0367 .0209 .000 .0031 .000
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	BaKYSi2O7
	Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E
	The Canadian Mineralogist 47 (2009) 421-431
	Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19
	Locality: synthetic
	_database_code_amcsd 0006290
	9.775 5.718 13.096 90 104.61 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)
	Ba .636758 .76922 .172119 .00926 .00893 .00803 .01092 -.00069 .00267 .00081
	K .13201 .26406 .13885 .01916 .0088 .0149 .0337 .00003 .00517 -.00130
	Y .760689 .24063 .021620 .00554 .00541 .00568 .00556 -.00011 .00145 -.00013
	Si1 .44792 .27157 .12132 .00521 .0051 .0052 .0051 -.00040 .00090 -.00001
	Si2 .97508 .75487 .14618 .00563 .0050 .0057 .0064 -.00012 .00178 -.00045
	O1 .36322 .0804 .03933 .0126 .0132 .0126 .0114 -.0044 .0017 -.0041
	O2 .39106 .5349 .09229 .0126 .0108 .0089 .0158 .0015 -.0008 .0024
	O3 .61843 .2582 .13816 .0088 .0069 .0096 .0103 -.0001 .0026 -.0007
	O4 .41496 .2031 .23643 .0108 .0078 .0166 .0081 -.0037 .0021 .0008
	O5 .07325 .7608 .06444 .0123 .0111 .0167 .0116 .0021 .0072 .0012
	O6 .86372 .5381 .12693 .0110 .0109 .0078 .0146 -.0026 .0039 -.0029
	O7 .89240 .0007 .15120 .0091 .0103 .0072 .0102 .0021 .0033 .0005
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	KSrScSi2O7
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	The Canadian Mineralogist 48 (2010) 51-68
	The crystal structures of three new complex silicates of sandium
	Locality: synthetic
	_database_code_amcsd 0006315
	9.446 5.478 12.537 90 104.39 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)
	K .13142 .26608 .14338 .01761 .0088 .0135 .0305 .0000 .0048 -.0026
	Sr .64474 .77038 .17439 .01042 .00990 .01013 .01154 -.00065 .00326 .00098
	Sc .75821 .23577 .02377 .00654 .0063 .0065 .0069 .00015 .0017 -.00029
	Si1 .44736 .27864 .11681 .00675 .0065 .0065 .0072 -.0001 .0014 .0002
	Si2 .97477 .75689 .14277 .00652 .0062 .0066 .0068 .0002 .0017 -.0006
	O1 .3551 .0904 .02826 .0110 .0115 .0101 .0111 -.0017 .0021 -.0010
	O2 .3968 .5597 .09062 .0117 .0102 .0114 .0118 .0014 -.0005 .0003
	O3 .6233 .2530 .13902 .0098 .0072 .0141 .0084 .0007 .0026 .0009
	O4 .4118 .2007 .23541 .0111 .0121 .0140 .0073 -.0028 .0027 .0000
	O5 .0800 .7670 .05973 .0113 .0124 .0117 .0116 .0009 .0066 .0018
	O6 .8591 .5336 .12269 .0122 .0116 .0099 .0153 -.0022 .0038 -.0022
	O7 .8884 .0098 .15242 .0090 .0102 .0087 .0085 .0028 .0032 .0002
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	NaBaScSi2O7
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	The Canadian Mineralogist 48 (2010) 51-68
	The crystal structures of three new complex silicates of sandium
	Locality: synthetic
	_database_code_amcsd 0006316
	6.845 5.626 8.819 90 109.33 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)
	Na .2663 .25 .99385 .0302 .0169 .0464 .0211 .0 -.0020 .0
	Ba .70493 .75 .536059 .00812 .00791 .00683 .00910 .0 .00210 .0
	Sc .70065 .25 .26630 .00465 .00506 .00420 .00463 .0 .00155 .0
	Si1 .94741 .25 .68026 .00502 .0046 .0048 .0056 .0 .0016 .0
	Si2 .63905 .25 .84265 .00498 .0051 .0050 .0049 .0 .0017 .0
	O1 .0806 .4860 .68648 .0150 .0146 .0153 .0131 -.0094 .0021 .0007
	O2 .7386 .25 .5235 .0068 .0063 .0077 .0058 .0 .0015 .0
	O3 .8824 .25 .8456 .0106 .0073 .0183 .0064 .0 .0027 .0
	O4 .6361 .25 .0234 .0110 .0130 .0155 .0055 .0 .0044 .0
	O5 .5330 .0097 .74776 .0108 .0143 .0089 .0094 -.0054 .0044 -.0028
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	RbBaScSi3O9
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	The Canadian Mineralogist 48 (2010) 51-68
	The crystal structures of three new complex silicates of sandium
	Locality: synthetic
	_database_code_amcsd 0006317
	6.957 10.199 11.881 90 90.07 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)
	Rb .24420 .55434 .57947 .01576 .01734 .01146 .01848 .00014 -.00102 .00057
	Ba .24119 .440841 .912355 .01100 .01002 .01230 .01068 .00083 -.00011 -.00184
	Sc .25646 .50412 .23416 .00641 .00762 .00526 .00634 .00011 .00010 -.00030
	Si1 .31093 .26411 .44195 .00632 .0072 .0060 .0057 .00052 .0004 .00038
	Si2 .00786 .25153 .62327 .00636 .0057 .0068 .0066 .0000 -.00001 -.0008
	Si3 .43439 .25320 .68364 .00650 .0062 .0063 .0069 -.0002 -.00119 -.0005
	O1 .3569 .37539 .35277 .0115 .0136 .0103 .0107 .0012 .0010 .0058
	O2 .3489 .11341 .40971 .0094 .0116 .0073 .0093 .0007 -.0003 -.0011
	O3 .0941 .28422 .49568 .0101 .0087 .0145 .0073 .0014 .0011 .0012
	O4 .4600 .29258 .54950 .0110 .0091 .0158 .0081 -.0034 .0006 .0001
	O5 -.1235 .37269 .65380 .0144 .0173 .0109 .0152 .0061 .0037 -.0005
	O6 -.0838 .10734 .61150 .0110 .0165 .0081 .0085 -.0039 .0022 -.0006
	O7 .1984 .24644 .70620 .0160 .0064 .0305 .0110 -.0018 .0003 .0051
	O8 .5035 .37039 .76207 .0112 .0136 .0097 .0102 -.0026 .0009 -.0036
	O9 .5062 .10667 .70490 .0140 .0145 .0083 .0193 .0034 -.0033 -.0004
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	Hinsdalite
	Kolitsch U, Tiekink E R T, Slade P G, Taylor M R, Pring A
	European Journal of Mineralogy 11 (1999) 513-520
	Hinsdalite and plumbogummite, their atomic arrangements
	and disordered lead sites
	_database_code_amcsd 0006789
	7.029 7.029 16.789 90 90 120 R-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)
	Pb .0312 .0312 0 1/6 .0276 .0275 .0275 .0272 .013 -.0005 .0005
	Al .5 0 .5 .0141 .0127 .0132 .0165 .0066 .0002 .0003
	P 0 0 .30764 .69 .0119 .0110 .0110 .0137 .0055 0 0
	S 0 0 .30764 .31 .0119 .0110 .0110 .0137 .0055 0 0
	O1 0 0 .6032 .0169
	O2 .2163 -.2163 -.0578 .0135
	OH3 .1266 -.1266 .1363 .0162
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	Plumbogummite
	Kolitsch U, Tiekink E R T, Slade P G, Taylor M R, Pring A
	European Journal of Mineralogy 11 (1999) 513-520
	Hinsdalite and plumbogummite, their atomic arrangements
	and disordered lead sites
	_database_code_amcsd 0006790
	7.039 7.039 16.761 90 90 120 R-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)
	Pb .0409 .0409 0 1/6 .0253 .0311 .0311 .0201 .0204 -.0018 .0018
	Al .5 0 .5 .0073 .0050 .0054 .0117 .0027 .0002 .0003
	P 0 0 .31002 .95 .0118 .0103 .0103 .0149 .0051 0 0
	As 0 0 .31002 .05 .0118 .0103 .0103 .0149 .0051 0 0
	O1 0 0 .5983 .0170
	O2 .2142 -.2142 -.0574 .0164
	OH3 .1260 -.1260 .13753 .0130
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	Trimounsite-(Y)
	Kolitsch U
	European Journal of Mineralogy 13 (2001) 761-768
	The crystal structure of trimounsite-(Y), (Y,REE)2Ti2SiO9:
	an unusual TiO6-based titanate chain
	_database_code_amcsd 0006894
	12.293 11.124 4.8610 90 95.69 90 P2_1/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)
	Y1 .57800 .86180 -.01444 .764 .01328 .0134 .0131 .01321 .00001 .00079 .00025
	Er1 .57800 .86180 -.01444 .236 .01328 .0134 .0131 .01321 .00001 .00079 .00025
	Y2 -.06934 .85876 .05361 .770 .01330 .0134 .0131 .01335 -.00008 .00094 .00042
	Er2 -.06934 .85876 .05361 .230 .01330 .0134 .0131 .01335 -.00008 .00094 .00042
	Ti1 .36059 .66364 -.16513 .01331 .0133 .0147 .0118 .0005 .0009 -.0001
	Ti2 .15006 .66317 .19889 .01313 .0134 .0140 .0121 -.0002 .0013 .0004
	Si .75231 .90568 -.4286 .0139 .0136 .0140 .0140 .0000 .0011 -.0002
	O1 .6441 .6640 -.0623 .0160 .0139 .0172 .0166 .0017 .0001 .0003
	O2 -.1350 .6593 .0050 .0174 .0166 .0173 .0185 -.0014 .0027 -.0004
	O3 .7536 .9015 -.0938 .0162 .0154 .0201 .0128 -.0008 .0001 .0016
	O4 .25439 .5509 .0211 .0150 .0168 .0129 .0161 -.0011 .0055 -.0024
	O5 .4379 .5484 -.3026 .0164 .0165 .0159 .0172 -.0007 .0027 -.0019
	O6 .4472 .7116 .1675 .0143 .0153 .0152 .0123 .0025 .0008 -.0008
	O7 .25539 .7923 .0171 .0144 .0148 .0161 .0119 -.0005 -.0007 -.0003
	O8 .0665 .5523 .3276 .0166 .0178 .0146 .0176 .0014 .0025 .0020
	O9 .0645 .7106 -.1338 .0147 .0151 .0164 .0126 -.0020 .0010 .0006
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	Satterlyite
	Kolitsch U, Andrut M, Giester G
	European Journal of Mineralogy 14 (2002) 127-133
	Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure
	and infrared absorption spectra
	Note: z-coordinate of O6 altered by author, August 2003.
	_database_code_amcsd 0006926
	11.355 11.355 5.0394 90 90 120 P31m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeM1 .32918 .85077 .01101 .838 .01032 .00807 .01038 .00916 .00211 .00059 -.00229
	MgM1 .32918 .85077 .01101 .162 .01032 .00807 .01038 .00916 .00211 .00059 -.00229
	FeM2 .17508 .85376 .50440 .706 .0087 .00898 .0079 .00909 .00413 -.00001 .00038
	MgM2 .17508 .85376 .50440 .294 .0087 .00898 .0079 .00909 .00413 -.00001 .00038
	P1 0 0 .27825 .00745 .0069 .0069 .0085 .00345 0 0
	P2 1/3 2/3 .52733 .00671 .00744 .00744 .0052 .0026 0 0
	P3 .34138 .34138 .97775 .00676 .00686 .00686 .0068 .00362 -.00074 -.00074
	O1 .87239 .87239 .3697 .0192 .0090 .0090 .0377 .0029 .0058 .0058
	O2 .27631 .75462 .6355 .01207 .0152 .0130 .0126 .0105 -.0010 -.0013
	O3 .26833 .26833 .7203 .0119 .0137 .0137 .0118 .0096 -.0053 -.0053
	O4 .12718 .75025 .1427 .0120 .0085 .0150 .0094 .0035 -.0018 -.0016
	O5 .47330 .47330 .9051 .0134 .0095 .0095 .0170 .0015 .0004 .0004
	O6 1/3 2/3 .2187 .0162 .0213 .0213 .0060 .01065 0 0
	Oh1 .62619 .62619 .3250 .0112 .0121 .0121 .0082 .0052 -.0002 -.0002
	Oh2 .72336 .72336 .8162 .0116 .0127 .0127 .0100 .0069 -.0028 -.0028
	Oh3 0 0 -.0305 .0397 .0549 .0549 .0095 .02745 0 0
	H1 .563 .563 .416 .0240
	H2 .805 .805 .904 .0210
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Wycheproofite
	Kolitsch U
	European Journal of Mineralogy 15 (2003) 1029-1034
	The crystal structure of wycheproofite, NaAlZr(PO4)2(OH)2.H2O
	_database_code_amcsd 0007022
	5.263 9.251 9.480 109.49 98.57 90.09 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 .2639 .2812 .4670 .884 .0320 .0310 .0274 .0573 -.0048 -.0149 .0131
	Al -.2475 .07698 -.49748 .0077 .0077 .0078 .0079 .0013 .0029 .0025
	Zr .25452 .25660 .01905 .00557 .0049 .0058 .0061 .00050 .00093 .00216
	P1 .8058 .14282 .19870 .0062 .0055 .0064 .0072 .0005 .0008 .0030
	P2 -.3072 .34173 -.18984 .0059 .0059 .0057 .0064 .0012 .0013 .0023
	O1 .8291 .1785 .3691 .0093 .0124 .0105 .0059 -.0020 .0025 .0032
	O2 .2559 .0284 -.1128 .0139 .0212 .0054 .0119 .0000 .0018 -.0012
	O3 .0614 .1949 .1675 .0122 .0085 .0166 .0142 -.0004 .0033 .0081
	O4 .5912 .2356 .1483 .0121 .0096 .0100 .0164 .0024 -.0007 .0052
	O5 .2613 .4855 .1513 .0139 .0191 .0064 .0142 -.0013 .0035 .0007
	O6 -.3350 .2671 -.3617 .0098 .0115 .0101 .0075 .0023 .0030 .0019
	O7 -.0834 .2770 -.1115 .0136 .0115 .0161 .0137 .0027 .0000 .0065
	O8 .4458 .3097 -.1344 .0120 .0092 .0159 .0121 .0008 .0035 .0056
	Oh9 .0970 .1061 -.4001 .0099 .0103 .0081 .0090 .0014 .0017 .0000
	Oh10 -.5899 .0288 -.6104 .0100 .0099 .0099 .0105 -.0011 .0019 .0039
	Ow11 .4306 .5264 .5436 .507 .053
	Ow12 .103 .4853 .629 .390 .066
	H12A .170 .409 .607 .040
	H12B .951 .495 .522 .040
	H9 .137 .157 -.334 .040
	H10 -.621 .007 -.688 .040
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Gasparite-(Ce)
	Kolitsch U, Holtstam D, Gatedal K
	European Journal of Mineralogy 16 (2004) 111-116
	Crystal chemistry of REEXO4 compounds (X = P, As, V).
	I. Paragenesis and crystal structure of phosphatian gasparite-(Ce)
	from the Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden
	Locality: Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden
	_database_code_amcsd 0007026
	6.929 7.129 6.697 90 104.46 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)
	CeREE .28043 .15401 .10023 .77 .02009 .0233 .0160 .0187 .00041 .00118 .00152
	LaREE .28043 .15401 .10023 .10 .02009 .0233 .0160 .0187 .00041 .00118 .00152
	NdREE .28043 .15401 .10023 .10 .02009 .0233 .0160 .0187 .00041 .00118 .00152
	PrREE .28043 .15401 .10023 .02 .02009 .0233 .0160 .0187 .00041 .00118 .00152
	CaREE .28043 .15401 .10023 .01 .02009 .0233 .0160 .0187 .00041 .00118 .00152
	AsX .30108 .16179 .61295 .710 .0167 .0235 .0135 .0123 -.0002 .0033 .0001
	PX .30108 .16179 .61295 .290 .0167 .0235 .0135 .0123 -.0002 .0033 .0001
	O1 .2489 .0009 .4309 .0252 .032 .021 .024 -.0063 .0076 -.0052
	O2 .3882 .3387 .4988 .0267 .025 .022 .032 .0005 .0056 .0087
	O3 .4801 .1062 .8195 .0289 .029 .028 .024 .0083 -.0038 .0009
	O4 .1217 .2124 .7181 .0294 .029 .036 .022 -.0050 .0022 .0059
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	K2ScFSi4O10
	Kolitsch U, Tillmanns E
	European Journal of Mineralogy 16 (2004) 143-149
	The structural relation between the new synthetic silicate K2ScFSi4O10
	and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10
	_database_code_amcsd 0007029
	11.207 11.207 8.166 90 90 90 I4/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .18464 .18499 .5 .01519 .01582 .01551 .01424 .00037 0 0
	Sc 0 0 .24475 .00583 .00607 .00607 .00535 0 0 0
	F1 0 0 0 .0205 .0278 .0278 .0060 0 0 0
	F2 0 0 .5 .0121 .0153 .0153 .0057 0 0 0
	Si .98925 .31366 .19159 .00628 .00724 .00542 .00618 -.00009 .00015 -.00038
	O3 .94831 .31741 0 .0131 .0115 .0205 .0074 -.0027 0 0
	O4 .00111 .18422 .26457 .01234 .0155 .0062 .0154 .0011 -.0001 .0015
	O5 .11497 .38589 .20654 .01334 .0114 .0146 .0140 -.0059 .0009 -.0043
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Gjerdingenite-Mn
	Raade G, Chukanov N V, Kolitsch U, Mockel S, Zadov A E, Pekov I V
	European Journal of Mineralogy 16 (2004) 979-987
	Gjerdingenite-Mn from Norway - a new mineral species
	in the labuntsovite group: descriptive data and crystal structure
	Locality: Gjerdingselva, Lunner, Oppland, Oslo Region, Norway
	_database_code_amcsd 0007086
	14.563 13.961 7.851 90 117.62 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)
	WatB .4336 .0000 .731 .100 .058 .156 .095 0 .043 0
	KB' .5 .8285 0 .72 .090 .060 .134 .073 0 .027 0
	WatB' .5 .8285 0 .28 .090 .060 .134 .073 0 .027 0
	WatC .0870 0 .3353 .035 .044 .027 .037 0 .022 0
	MnD 0 0 .5 .831 .0197 .021 .019 .016 0 .0060 0
	MnD' .2510 0 .501 .091 .017
	Nb1 0 .76495 .5 .547 .0321 .0266 .0205 .0284 0 -.0051 0
	Ti1 0 .76495 .5 .453 .0321 .0266 .0205 .0284 0 -.0051 0
	Nb2 .75 .75 .5 .707 .0357 .0639 .0275 .0313 .0062 .0355 .0035
	Ti2 .75 .75 .5 .293 .0357 .0639 .0275 .0313 .0062 .0355 .0035
	Si1 .2055 .1088 .7984 .0185 .0235 .0107 .0204 .0007 .0093 .0017
	Si2 .6854 .8904 .7573 .0183 .0222 .0103 .0217 -.0007 .0095 -.0003
	OH1 .9018 .7669 .6081 .0231 .019 .031 .013 .001 .002 .002
	O2 .9181 .8810 .3351 .0285 .024 .028 .031 -.003 .011 -.001
	O3 .2585 .8716 .3740 .0290 .029 .028 .034 .000 .017 .001
	O4 .2707 .8205 .7307 .0259 .026 .027 .028 .001 .015 .000
	O5 .4153 .8215 .3032 .0286 .027 .029 .033 .010 .017 .014
	O6 .3563 0 .2678 .033 .037 .017 .051 0 .027 0
	O7 .2326 .8718 .0195 .0310 .042 .027 .021 .002 .011 .001
	O8 .2411 0 .7822 .031 .034 .019 .042 0 .018 0
	Wat 0 .134 0 .117 .14 .18 .038 0 .039 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Vastmanlandite-(Ce)
	Holtstam D, Kolitsch U, Andersson U B
	European Journal of Mineralogy 17 (2005) 129-141
	Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral
	from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce)
	Locality: Vastmanland, Sweden
	_database_code_amcsd 0007088
	8.939 5.706 15.855 90 94.58 90 P2_1/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)
	Ce3+1 .85943 .75 .25017 .01084 .00922 .01636 .00705 0 .00133 0
	Ce3+2 .58997 .25 .16558 .00953 .00869 .01298 .00702 0 .00116 0
	Ce3+3 .77129 .7200 .00960 .5 .0110 .01480 .0121 .00610 .0009 .00049 -.0004
	Ca .18223 .75 .40937 .922 .0110 .0103 .0115 .0107 0 -.0027 0
	Ce3+ .18223 .75 .40937 .078 .0110 .0103 .0115 .0107 0 -.0027 0
	MgM1 .5 .5 .5 .812 .0064 .0066 .0049 .0077 .0005 .0015 .0007
	FeM1 .5 .5 .5 .188 .0064 .0066 .0049 .0077 .0005 .0015 .0007
	MgM3 .68719 .25 .37631 .746 .0090 .0108 .0085 .0081 0 .0020 0
	FeM3 .68719 .25 .37631 .254 .0090 .0108 .0085 .0081 0 .0020 0
	AlM2 .22646 .5008 .20392 .964 .0070 .0065 .0062 .0085 -.0004 .0019 -.0001
	FeM2 .22646 .5008 .20392 .036 .0070 .0065 .0062 .0085 -.0004 .0019 -.0001
	Si1 .82068 .75 .47627 .0064 .0068 .0061 .0063 0 .0007 0
	Si2 .03461 .25 .33421 .0060 .0055 .0064 .0063 0 .0006 0
	Si3 .50998 .75 .31233 .0056 .0042 .0066 .0059 0 .0008 0
	Si4 .93385 .25 .10290 .0078 .0052 .0111 .0069 0 .0001 0
	Si5 .42363 .75 .07729 .0063 .0065 .0064 .0064 0 .0021 0
	O1 .7230 .5074 .4789 .0100 .0094 .0082 .0124 -.0016 .0009 .0008
	O2 .6130 .5243 .29111 .0090 .0083 .0094 .0093 .0023 .0009 -.0009
	O3 .1104 .4859 .2984 .0104 .0125 .0073 .0119 -.0008 .0044 .0002
	O5 .5416 .25 .5902 .0087 .009 .0086 .0085 0 .0021 0
	O6 .3460 .75 .2565 .0093 .0067 .0089 .012 0 -.0021 0
	O7 .9209 .75 .3973 .0108 .011 .012 .010 0 .0036 0
	O8 .8597 .25 .3066 .0177 .007 .033 .013 0 .0006 0
	O9 .0659 .25 .4369 .0156 .014 .023 .009 0 -.0032 0
	O11 .34201 .5100 .1083 .0120 .0118 .0079 .0172 -.0012 .0061 .0001
	O13 .8915 .75 .8530 .0090 .0048 .011 .011 0 -.0004 0
	O14 .8386 .4744 .1316 .0161 .0086 .0091 .030 .0011 -.0035 -.0008
	O15 .9521 .3273 .0049 .5 .0132 .013 .017 .009 -.0004 -.001 .002
	O16 .4166 .75 .9770 .0351 .044 .054 .007 0 .003 0
	O17 .5949 .75 .1173 .0224 .007 .040 .021 0 .0015 0
	OH1 .3500 .25 .2461 .0085 .0065 .010 .009 0 .0009 0
	OH2 .1033 .75 .1620 .0085 .0075 .0088 .009 0 .0009 0
	O .4792 .25 .41700 .539 .0047 .0054 .0039 .0048 0 .0012 0
	F .4792 .25 .41700 .461 .0047 .0054 .0039 .0048 0 .0012 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Wendwilsonite
	Kolitsch U, Fleck M
	European Journal of Mineralogy 18 (2006) 471-482
	Third update on compounds with krohnkite-type chains: the crystal structure of
	wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
	synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)
	Locality: Schneeberg, Saxony, Germany
	_database_code_amcsd 0007158
	5.806 12.923 5.628 90 107.49 90 P2_1/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 .56210 .12187 .23138 .00840 .00729 .00893 .00946 -.00100 .00323 -.00153
	Mg 0 0 0 .9 .0078 .0067 .0087 .0077 -.0007 .0018 -.0023
	Co 0 0 0 .1 .0078 .0067 .0087 .0077 -.0007 .0018 -.0023
	As .21621 .120488 .56738 .00535 .00518 .00578 .00476 .00004 .00103 .00012
	O1 -.05699 .17409 .4976 .0103 .0070 .0104 .0121 .0030 .0008 .0001
	O2 .27852 .05378 .83963 .0085 .0088 .0095 .0066 .0000 .0017 .0027
	O3 .23638 .03655 .3426 .0100 .0103 .0111 .0090 -.0014 .0035 -.0042
	O4 .43917 .20566 .5747 .0100 .0098 .0092 .0118 -.0041 .0043 -.0015
	Ow5 .8177 .13770 .9649 .0089 .0110 .0077 .0069 -.0014 .0013 .0003
	H1 .881 .192 .982 .022
	H2 .745 .142 .838 .026
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	AgSc(CrO4)2*2H2O
	Kolitsch U, Fleck M
	European Journal of Mineralogy 18 (2006) 471-482
	Third update on compounds with krohnkite-type chains: the crystal structure of
	wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
	synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)
	Locality: synthetic
	_database_code_amcsd 0007159
	5.586 6.054 7.432 110.74 90.21 117.34 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)
	Ag 0 0 .5 .02383 .02924 .02414 .02079 .01407 .00046 .01060
	Sc 0 0 0 .01210 .0099 .0140 .0126 .0069 .0025 .0041
	Cr .62811 .22751 .31352 .01187 .01149 .0152 .01031 .00803 .00270 .00464
	O1 .6186 .2954 .5421 .0266 .0383 .0338 .0126 .0228 .0092 .0076
	O2 .7735 .5082 .2806 .0248 .0258 .0210 .0309 .0116 .0084 .0136
	O3 .3067 .0298 .1809 .0237 .0147 .0258 .0279 .0088 -.0039 .0095
	O4 .8161 .0662 .2426 .0184 .0207 .0258 .0178 .0170 .0096 .0106
	Ow5 .2225 .4229 .0674 .0213 .0265 .0160 .0173 .008 .0044 .0054
	H1 .21 .49 -.012 .13
	H2 .245 .537 .172 .06
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	Rb2Cu(Cr2O7)2*2H2O
	Kolitsch U, Fleck M
	European Journal of Mineralogy 18 (2006) 471-482
	Third update on compounds with krohnkite-type chains: the crystal structure of
	wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
	synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)
	Locality: synthetic
	_database_code_amcsd 0007160
	7.272 7.648 7.772 91.89 99.72 115.79 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)
	Rb .27681 .74673 .17355 .029440 .03086 .03187 .02977 .01610 .00945 .01158
	Cu 0 0 .5 .018940 .0216 .01492 .01746 .00713 .00022 -.00175
	Cr1 .24356 .47662 .66873 .018630 .02098 .01571 .01814 .00776 .00259 .00167
	Cr2 .29716 .24535 .14819 .019570 .01807 .01995 .01954 .00766 .00345 .00146
	O1 .2715 .5567 .4838 .04440 .0473 .0556 .0274 .0197 .0070 .0196
	O2 .1569 .5971 .7771 .03400 .0328 .0255 .0466 .0168 .0069 -.0054
	O3 .0780 .2417 .6442 .02700 .0298 .0154 .0286 .0052 .0028 -.0046
	O4 .5109 .4859 .2125 .02430 .0224 .0196 .0289 .0084 .0023 .0043
	O5 .0985 .2744 .0605 .03790 .0265 .0467 .0411 .0198 -.0004 -.0002
	O6 .2554 .1313 .3201 .0323 .0354 .0299 .0280 .0090 .0123 .0090
	O7 .3545 .1220 .0100 .0291
	Ow8 .2029 -.0452 .6713 .0253
	H1 .322 .036 .653 .08
	H2 .231 .010 .780 .066
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cs2Cu(Cr2O7)2*2H2O
	Kolitsch U, Fleck M
	European Journal of Mineralogy 18 (2006) 471-482
	Third update on compounds with krohnkite-type chains: the crystal structure of
	wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
	synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)
	Locality: synthetic
	_database_code_amcsd 0007161
	7.462 7.819 7.847 93.19 99.57 116.34 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)
	Cs .28445 .75069 .17853 .02897 .02984 .02810 .03413 .01560 .01088 .01217
	Cu 0 0 .5 .02125 .0217 .0173 .0217 .0084 .00037 -.00212
	Cr1 .24420 .47005 .66857 .01997 .0217 .0172 .0204 .00893 .00327 .00243
	Cr2 .29627 .24521 .15254 .02118 .0189 .0191 .0247 .0082 .00437 .00247
	O1 .2664 .5330 .4816 .0488 .062 .055 .0301 .0252 .0124 .0214
	O2 .1576 .5922 .7686 .0380 .0359 .0296 .0538 .0206 .0101 -.0032
	O3 .0851 .2370 .6515 .0284 .0305 .0194 .0296 .0080 .0038 -.0020
	O4 .5129 .4811 .2117 .0277 .0228 .0224 .0349 .0091 .0016 .0061
	O5 .1030 .2771 .0745 .0373 .0262 .0385 .0462 .0167 .0019 .0013
	O6 .2619 .1358 .3220 .0318 .0376 .0271 .0316 .0123 .0154 .0091
	O7 .3377 .1181 .0076 .0305
	Ow8 .1867 -.0566 .6698 .0262
	H1 .303 .011 .663 .012
	H2 .220 -.004 .773 .047
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluor-schorl
	Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J
	European Journal of Mineralogy 18 (2006) 583-588
	The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal
	structure and chemistry
	Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy
	_database_code_amcsd 0007165
	15.997 15.997 7.179 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2295 .78 .0243
	KX 0 0 .2295 .01 .0243
	Fe2+Y .12643 .063214 .62633 .63 .00763
	AlY .12643 .063214 .62633 .19 .00763
	Fe3+Y .12643 .063214 .62633 .04 .00763
	Mn2+Y .12643 .063214 .62633 .04 .00763
	Ti4+Y .12643 .063214 .62633 .01 .00763
	MgY .12643 .063214 .62633 .01 .00763
	ZnY .12643 .063214 .62633 .01 .00763
	AlZ .29899 .26186 .61246 .96 .00545
	FeZ .29899 .26186 .61246 .04 .00545
	SiT .19174 .18983 .00079 .98 .00480
	AlT .19174 .18983 .00079 .02 .00480
	B .11013 .22027 .4567 .0066
	O2 .06163 .12325 .48601 .0146
	Oh3V .26992 .13496 .51180 .0125
	FW 0 0 .7848 .76 .0408
	OHW 0 0 .7848 .24 .0408
	O4 .09295 .18590 .06917 .0091
	O5 .18634 .09317 .09123 .00924
	O6 .19797 .18804 .77760 .00828
	O7 .28469 .28525 .08089 .00796
	O8 .20979 .27035 .44298 .00962
	H .255 .1276 .385 .049
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluor-schorl
	Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J
	European Journal of Mineralogy 18 (2006) 583-588
	The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal
	structure and chemistry
	Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy
	_database_code_amcsd 0007165
	15.997 15.997 7.179 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2295 .78 .0243
	KX 0 0 .2295 .01 .0243
	Fe2+Y .12643 .063214 .62633 .63 .00763
	AlY .12643 .063214 .62633 .19 .00763
	Fe3+Y .12643 .063214 .62633 .04 .00763
	Mn2+Y .12643 .063214 .62633 .04 .00763
	Ti4+Y .12643 .063214 .62633 .01 .00763
	MgY .12643 .063214 .62633 .01 .00763
	ZnY .12643 .063214 .62633 .01 .00763
	AlZ .29899 .26186 .61246 .96 .00545
	FeZ .29899 .26186 .61246 .04 .00545
	SiT .19174 .18983 .00079 .98 .00480
	AlT .19174 .18983 .00079 .02 .00480
	B .11013 .22027 .4567 .0066
	O2 .06163 .12325 .48601 .0146
	Oh3V .26992 .13496 .51180 .0125
	FW 0 0 .7848 .76 .0408
	OHW 0 0 .7848 .24 .0408
	O4 .09295 .18590 .06917 .0091
	O5 .18634 .09317 .09123 .00924
	O6 .19797 .18804 .77760 .00828
	O7 .28469 .28525 .08089 .00796
	O8 .20979 .27035 .44298 .00962
	H .255 .1276 .385 .049
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	Allanpringite
	Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E
	European Journal of Mineralogy 18 (2006) 793-801
	Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany,
	and its close relation to wavellite
	Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany
	_database_code_amcsd 0007186
	9.777 7.358 17.830 90 92.19 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)
	Fe1 .27493 .6185 .24870 .92 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015
	Al1 .27493 .6185 .24870 .08 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015
	Fe2 .74539 .6422 .48712 .91 .0158 .0162 .0080 .0231 .0001 -.0003 .0006
	Al2 .74539 .6422 .48712 .09 .0158 .0162 .0080 .0231 .0001 -.0003 .0006
	Fe3 .75612 .1425 .48182 .92 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006
	Al3 .75612 .1425 .48182 .08 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006
	P1 .4372 .6104 .41119 .0177 .0173 .0138 .0220 .0003 .0001 -.0006
	P2 .0548 .0969 .40389 .0186 .0198 .0127 .0232 .0014 .0012 .0026
	O1 .5892 .5640 .4167 .0214
	O2 .3540 .4376 .4233 .0175
	O3 .4036 .7604 .4680 .0235
	O4 .4020 .6856 .3314 .028
	O5 .0958 .2626 .4496 .0232
	O6 .0789 .1253 .3213 .035
	O7 .1326 -.0757 .4270 .0195
	O8 .9017 .0651 .4120 .0187
	OH9 .2100 .8627 .2254 .030
	Wat10 .1230 .5470 .1677 .036
	Wat11 .1124 .6196 .3313 .046
	OH12 .8304 .3953 .4809 .0221
	OH13 .6734 .8950 .4823 .0257
	Wat14 .8481 .7077 .3886 .0260
	Wat15 .6400 .2078 .3796 .028
	Wat16a .811 .238 .2513 .5 .050
	Wat16b .775 .114 .2496 .5 .059
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	Guanacoite
	Witzke T, Kolitsch U, Krause W, Wiechowski A, Medenbach O, Kampf A R,
	Steele I M, Favreau G
	European Journal of Mineralogy 18 (2006) 813-821
	Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral
	species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure
	Locality: El Guanaco Mine, Taltal, Chile
	_database_code_amcsd 0007188
	5.475 16.865 6.915 90 99.80 90 P2_1/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)
	Cu1 0 0 0 .504 .00995 .0083 .0107 .0109 .00063 .00163 .00220
	MgCu1 0 0 0 .496 .00995 .0083 .0107 .0109 .00063 .00163 .00220
	Cu2 .48613 .061215 .81351 .01084 .00813 .00980 .01437 .00096 .00132 .00045
	Mg3 -.03662 .12866 .66179 .961 .0108 .0095 .0127 .0105 -.0001 .0024 -.0010
	CuMg3 -.03662 .12866 .66179 .039 .0108 .0095 .0127 .0105 -.0001 .0024 -.0010
	As .38336 .117186 .33611 .00885 .00849 .00944 .00868 -.00036 .00163 -.00005
	O1 .3498 .04317 .1671 .0138 .0188 .0095 .0125 .0021 .0007 -.0023
	O2 .6149 .09660 .5199 .0150 .0103 .0210 .0123 .0001 -.0018 .0028
	O3 .1144 .13312 .4139 .0156 .0098 .0246 .0133 .0036 .0047 .0021
	O4 .4383 .19887 .2077 .0139 .0169 .0101 .0155 -.0008 .0047 .0019
	Oh5 .1484 .02198 .7504 .0114 .0111 .0106 .0124 -.0003 .0017 -.0026
	Oh6 .8180 .10178 .9159 .0116 .0110 .0115 .0122 .0002 .0021 -.0019
	Ow1 .3132 .16615 .8361 .0118 .0130 .0090 .0134 -.0006 .0024 .0015
	Ow2 .8780 .25109 .1683 .0165 .0118 .0141 .0228 -.0016 .0010 .0036
	H1 .137 -.007 .693 .029
	H2 .817 .129 .971 .025
	H3 .354 .203 .789 .029
	H4 .340 .177 .963 .032
	H5 .968 .224 .235 .033
	H6 .735 .241 .178 .033
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	Lavendulan
	Giester G, Kolitsch U, Leverett P, Turner P, Williams P A
	European Journal of Mineralogy 19 (2007) 75-93
	The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
	Locality: Hilarion mine, Lavrion, Greece
	_database_code_amcsd 0007195
	10.011 19.478 10.056 90 90.37 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)
	Na .2902 .1083 .6475 .0309 .0259 .042 .0248 .0036 .0008 -.0016
	Ca .78303 .09544 .13674 .0207 .0172 .0260 .0188 .0012 .0000 .0001
	Cu1 .05806 .21004 .13981 .0175 .0167 .0253 .0105 -.0032 -.0002 -.0001
	Cu2 .52395 .21604 .14172 .0178 .0158 .0264 .0113 .0025 .0005 .0002
	Cu3 .29061 .21147 .36580 .0172 .0113 .0242 .0160 -.0001 -.0006 .0027
	Cu4 .29423 .21174 -.08393 .0175 .0116 .0262 .0147 -.0002 .0003 -.0026
	Cu5 .79415 .09098 .64051 .01656 .0130 .0242 .0125 -.0001 .0002 -.0006
	As1 -.00500 .15757 .43069 .01576 .0125 .0236 .0112 -.0005 .0009 .0002
	As2 .00026 .15848 .84746 .01530 .0118 .0230 .0111 -.0003 -.0005 -.0007
	As3 .58430 .16290 .43480 .01555 .0123 .0224 .0119 .0003 -.0006 .0004
	As4 .58955 .16303 .84879 .01553 .0119 .0230 .0117 .0005 .0012 -.0004
	O1 -.0729 .0882 .4986 .0216 .021 .027 .017 -.004 .008 .001
	O2 -.0455 .1587 .2685 .0207 .027 .025 .010 -.009 .001 .001
	O3 .1605 .1539 .4595 .0224 .008 .032 .026 -.001 .001 .007
	O4 -.0663 .2307 .5016 .0178 .014 .026 .014 .001 -.003 -.002
	O5 -.0622 .0883 .7728 .0210 .017 .025 .021 -.002 -.004 -.002
	O6 .1646 .1601 .8155 .0221 .008 .036 .023 .002 -.003 -.009
	O7 -.0405 .1570 1.0086 .0219 .018 .033 .016 -.006 -.001 -.001
	O8 -.0697 .2312 .7804 .0191 .020 .026 .012 -.001 -.001 .003
	O9 .6513 .0936 .5050 .0227 .023 .027 .018 .001 -.008 .003
	O10 .4212 .1617 .4674 .0234 .013 .036 .021 .002 .001 .010
	O11 .6239 .1627 .2722 .0201 .025 .028 .008 .007 -.004 .001
	O12 .6494 .2361 .5021 .0171 .015 .025 .011 -.003 .0036 -.0026
	O13 .6656 .0954 .7840 .0229 .022 .029 .017 .002 .008 -.002
	O14 .4250 .1604 .8191 .0201 .009 .031 .020 .002 .000 -.007
	O15 .6482 .2374 .7790 .0179 .019 .022 .013 .001 .002 .0044
	O16 .6329 .1680 1.0119 .0204 .018 .032 .011 .004 .001 -.002
	Cl .30063 .13529 .1362 .0244 .0246 .0276 .0209 -.0016 .0004 .0018
	Wat1 .8525 .0042 .2943 .0320 .033 .038 .024 .002 -.005 -.006
	Wat2 .2341 .0227 .3557 .046 .070 .027 .040 -.002 .017 .002
	Wat3 .4415 .0202 .6420 .0361 .032 .043 .033 -.008 .009 -.002
	Wat4 .8513 .0069 -.0096 .0383 .043 .044 .028 -.004 .006 -.005
	Wat5 .5882 .0224 .1097 .054 .053 .065 .042 -.030 -.006 .011
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	Sampleite
	Giester G, Kolitsch U, Leverett P, Turner P, Williams P A
	European Journal of Mineralogy 19 (2007) 75-93
	The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
	Locality: Northparkes mine, Goonumbla, New South Wales, Australia
	_database_code_amcsd 0007196
	9.676 19.284 9.766 90 90.07 90 P2_1/n
	atom x y z Uiso
	Na .2865 .1032 .6398 .0112
	Ca .76999 .09306 .14427 .0043
	Cu1 .04881 .21185 .14075 .0032
	Cu2 .51567 .22076 .14043 .0033
	Cu3 .28372 .21763 .36863 .0029
	Cu4 .28443 .21228 -.08722 .0035
	Cu5 .78575 .09295 .64142 .0033
	P1 -.0109 .15821 .4326 .0029
	P2 -.0086 .15469 .8503 .0025
	P3 .5786 .16499 .4328 .0026
	P4 .5786 .16071 .8473 .0023
	O1 -.0688 .0928 .5009 .0040
	O2 -.0488 .1578 .2768 .0036
	O3 .1457 .1601 .4592 .0105
	O4 -.0753 .2255 .4961 .0059
	O5 -.0691 .0890 .7827 .0057
	O6 .1466 .1560 .8222 .0056
	O7 -.0460 .1547 1.0041 .0041
	O8 -.0751 .2220 .7829 .0028
	O9 .6477 .1018 .4968 .0077
	O10 .4217 .1638 .4620 .0068
	O11 .6133 .1673 .2766 .0050
	O12 .6365 .2332 .4974 .0031
	O13 .6473 .0967 .7855 .0064
	O14 .4233 .1585 .8193 .0061
	O15 .6372 .2293 .7801 .0049
	O16 .6137 .1648 1.0037 .0037
	Cl .2911 .13745 .1425 .0053
	Wat1 .8509 .0009 .2984 .0077
	Wat2 .2394 .0236 .3825 .0175
	Wat3 .4579 .0169 .6121 .0340
	Wat4 .8390 .0043 -.0063 .0113
	Wat5 .5576 .0242 .1337 .0354
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	Sampleite
	Giester G, Kolitsch U, Leverett P, Turner P, Williams P A
	European Journal of Mineralogy 19 (2007) 75-93
	The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
	Locality: Lake Boga, Victoria, Australia
	Note: This is a polymorph or perhaps polytype of sampleite
	_database_code_amcsd 0007197
	9.695 9.673 19.739 90 102.61 90 P2_1/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 .1870 .2080 .6027 .0430 .030 .035 .062 -.004 .005 .011
	Ca .3191 .2770 .40528 .0233 .0317 .0167 .0204 -.0051 .0032 .0027
	Cu1 .73327 .05287 .21307 .0185 .0081 .0171 .0306 -.0017 .0051 -.0020
	Cu2 .26393 .02044 .27943 .0190 .0106 .0182 .0285 .0006 .0047 -.0016
	Cu3 -.03815 .28727 .21499 .0152 .0141 .0081 .0242 -.0022 .0057 -.0012
	Cu4 .50696 .28915 .21511 .0171 .0134 .0105 .0269 .0011 .0031 .0012
	Cu5 .81906 .28848 .40553 .0173 .0157 .0108 .0249 .0002 .0035 .0000
	P1 .4195 -.0036 .15683 .0141 .0103 .0088 .0229 .0015 .0030 -.0010
	P2 -.0013 -.0080 .15795 .0151 .0117 .0105 .0244 -.0012 .0071 .0004
	P3 .5808 .0843 .33693 .0147 .0120 .0081 .0226 -.0047 .0007 .0005
	P4 -.0045 .0824 .33647 .0152 .0119 .0100 .0229 .0017 .0016 -.0020
	O1 .3184 -.0642 .0923 .022 .016 .021 .025 .007 -.006 -.005
	O2 .3939 .1496 .1574 .021 .017 .009 .036 .009 .003 -.007
	O3 .5725 -.0420 .1565 .024 .011 .024 .034 .001 .003 .006
	O4 .3838 -.0690 .2242 .021 .020 .019 .026 -.015 .006 .003
	O5 .0378 -.0627 .0927 .021 .018 .011 .033 .009 .006 .003
	O6 -.1522 -.0407 .1579 .0157 .000 .023 .023 -.004 .000 .000
	O7 .0255 .1480 .1589 .029 .040 .018 .033 .003 .015 .000
	O8 .0971 -.0708 .2241 .020 .011 .023 .026 .002 .004 .001
	O9 .6688 .1537 .4000 .027 .012 .028 .041 -.020 .003 -.010
	O10 .4218 .1165 .3339 .0176 .005 .020 .027 -.003 .002 -.001
	O11 .6123 -.0709 .3388 .023 .000 .020 .049 -.001 .003 -.008
	O12 .6183 .1436 .2693 .019 .013 .017 .029 .009 .012 .006
	O13 -.0375 .1497 .4000 .022 .019 .016 .034 .002 .010 .000
	O14 .1483 .1139 .3353 .022 .020 .033 .015 .025 .010 .000
	O15 -.1004 .1405 .2697 .020 .018 .014 .028 .003 .003 -.006
	O16 -.0315 -.0694 .3395 .019 .007 .011 .045 -.008 .015 -.011
	Cl .7001 .2933 .13837 .0226 .0176 .0204 .0296 .0020 .0048 .0035
	Wat1 .2042 .3515 .4962 .042 .024 .058 .041 -.003 .001 .001
	Wat2 -.1252 .2682 .5214 .056 .078 .059 .026 -.016 .002 -.004
	Wat3 .115 .045 .5142 .56 .059 .10 .020 .08 .010 .06 .000
	Wat4 .5083 .3408 .4955 .040 .030 .037 .054 -.009 .007 .007
	Wat5 .356 .0615 .4766 .076 .090 .064 .084 -.032 .040 -.016
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	KFe3(AsO4)2(HAsO4)2
	Schwendtner K, Kolitsch U
	European Journal of Mineralogy 19 (2007) 399-409
	Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
	(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
	_database_code_amcsd 0007220
	18.975 6.5850 10.955 90 100.42 90 C2/c
	atom x y z Uiso
	K 0 .16102 .25 .0228
	Fe1 .25 .75 .50 .00839
	Fe2 .14899 .48042 .22501 .00839
	As1 .077667 .66239 .44770 .00828
	As2 .302535 .48144 .27033 .00790
	O1 .07989 .4942 .3347 .0147
	O2 .14863 .8167 .4652 .0110
	O3 .07116 .5440 .5802 .0133
	O4 .00658 .8266 .4090 .0146
	O5 .35359 .6794 .2527 .0122
	O6 .35353 .2790 .3129 .0124
	O7 .24002 .5260 .3637 .0098
	O8 .23771 .4425 .1395 .0099
	H -.0364 .772 .405 .05
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	K(H2O)Fe(H1.5AsO4)2(H2AsO4)
	Schwendtner K, Kolitsch U
	European Journal of Mineralogy 19 (2007) 399-409
	Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
	(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
	_database_code_amcsd 0007221
	4.700 8.712 13.828 90 94.86 90 P2/n
	atom x y z occ Uiso
	K .6183 .9948 .0091 .5 .0469
	O7 .75 .3474 .25 .0248
	Fe .75 .77744 .25 .0163
	As1 .20590 .65359 .10111 .01445
	As2 .25 .03815 .25 .01560
	O1 -.0235 .6161 .1840 .0180
	O2 .4726 .7755 .1327 .0178
	O3 .3265 .4832 .0636 .0234
	O4 .0411 .7457 .0017 .0264
	O5 -.0200 .9440 .1916 .0178
	O6 .1328 .1558 .3381 .0263
	H1 .008 .230 .322 .035
	H2 -.058 .668 -.026 .026
	H3 .8227 .4136 .2072 .06
	H4 .4578 .5049 .0280 .5 .05
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	K(H2O)Ga(H1.5AsO4)2(H2AsO4)
	Schwendtner K, Kolitsch U
	European Journal of Mineralogy 19 (2007) 399-409
	Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
	(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
	_database_code_amcsd 0007222
	4.641 8.696 13.772 90 94.71 90 P2/n
	atom x y z occ Uiso
	K .6221 .9948 .00933 .5 .0402
	O7 .75 .3416 .25 .0223
	Ga .75 .77461 .25 .01229
	As1 .20831 .65344 .10342 .01268
	As2 .25 .03104 .25 .01297
	O1 -.0245 .6144 .18641 .0151
	O2 .4767 .7766 .13442 .0152
	O3 .3294 .4830 .0651 .0209
	O4 .0413 .7449 .00288 .0236
	O5 -.0236 .9376 .19101 .0144
	O6 .1345 .1499 .33841 .0228
	H1 -.009 .212 .317 .10
	H2 -.076 .675 -.026 .08
	H3 .842 .407 .217 .034
	H4 .464 .504 .024 .5 .02
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	K(H2O)In(H1.5AsO4)2(H2AsO4)
	Schwendtner K, Kolitsch U
	European Journal of Mineralogy 19 (2007) 399-409
	Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
	(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
	_database_code_amcsd 0007223
	4.798 8.832 13.971 90 94.68 90 P2/n
	atom x y z occ Uiso
	K .6556 .9940 .0081 .5 .0363
	O7 .75 .3551 .25 .0226
	In .75 .78143 .25 .01728
	As1 .20417 .65205 .09643 .01291
	As2 .25 .05180 .25 .01479
	O1 -.0171 .6144 .1794 .0201
	O2 .4621 .7744 .1263 .0181
	O3 .3255 .4824 .0607 .0218
	O4 .0376 .7436 -.0013 .0245
	O5 -.0109 .9577 .1908 .0194
	O6 .1270 .1658 .3378 .0273
	H1 -.053 .183 .319 .04
	H2 -.122 .720 -.037 .03
	H3 .872 .405 .215 .02
	H4 .43 .49 .010 .5 .020
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	Pattersonite
	Kolitsch U, Bernhardt H-J, Krause W, Blass G
	European Journal of Mineralogy 20 (2008) 281-288
	Pattersonite, PbFe3(PO4)2(OH)4[(H2O)0.5(OH)0.5]2, a new supergene phosphate
	mineral: description and crystal structure
	Locality: Grube Vereinigung, near Eisenbach, Taunus, Hesse, Germany
	_database_code_amcsd 0007260
	5.309 7.211 7.349 87.74 86.38 71.40 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)
	Pb .5 .5 .5 .01253 .0125 .0115 .0117 -.00119 -.00072 -.00024
	Fe1 0 0 0 .0170 .0109 .0309 .0126 -.0108 .0040 -.0129
	Fe2 0 0 .5 .0230 .0364 .0382 .0087 -.0329 .0072 -.0057
	Fe3 .5 .5 0 .0148 .0085 .0288 .0096 -.0091 .0011 -.0064
	P .0503 .3543 .2244 .0218 .0145 .0432 .0155 -.0201 .0082 -.0159
	O1 .1548 .1912 .0863 .0212
	O2 -.2259 .4935 .1806 .0271
	O3 .2545 .4655 .2197 .0202
	O4 .0199 .2705 .4171 .0270
	OH5 .1134 .0530 .7402 .0195
	OH6 .3606 .7889 .0331 .0196
	Wat7 -.388 .1309 .5814 .5 .041
	OH7 -.388 .1309 .5814 .5 .041
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	Wakefieldite-(La)
	Witzke T, Kolitsch U, Warnsloh J M, Goske J
	European Journal of Mineralogy 20 (2008) 1135-1139
	Wakefieldite-(La), LaVO4, a new mineral species from the Glucksstern Mine,
	Friedrichroda, Thuringia, Germany
	Locality: Glucksstern Mine, Friedrichroda, Thuringia, Germany
	_database_code_amcsd 0007272
	7.432 7.432 6.521 90 90 90 *I4_1/amd
	0 -.25 .125
	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 0 .75 .125 .71 .00758 .00875 .00875 .00524 0 0 0
	Nd 0 .75 .125 .15 .00758 .00875 .00875 .00524 0 0 0
	Pr 0 .75 .125 .11 .00758 .00875 .00875 .00524 0 0 0
	Sm 0 .75 .125 .01 .00758 .00875 .00875 .00524 0 0 0
	Y 0 .75 .125 .02 .00758 .00875 .00875 .00524 0 0 0
	V 0 .25 .375 .00628 .00743 .00743 .0040 0 0 0
	O 0 .42758 .2075 .0134 .0203 .0101 .0098 0 0 .0009
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	Hilairite-(Rb)
	Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
	European Journal of Mineralogy 21 (2009) 495-506
	Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
	Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
	Note: sample was synthesized by cation exchange at 150 C
	_database_code_amcsd 0007281
	10.477 10.477 15.377 90 90 120 R3
	atom x y z occ Uiso
	Rb1 .0 .0 -.06577 .03552
	Rb2 .3340 .89493 .10497 .870 .0378
	Na2 .3340 .89493 .10497 .130 .0378
	Zr1 .0 .0 .19048 .01237
	Zr2 1/3 2/3 .33918 .01029
	Si1 .3408 .23028 .10909 .0193
	Si2 .05776 .7287 .27305 .0215
	O1 .1878 .0765 .1134 .0253
	O2 .2094 .7260 .2641 .0253
	O3 .1112 .1867 .2674 .0249
	O4 .4019 .8530 .4176 .0149
	O5 .9380 .6203 .2036 .0277
	O6 .3239 .3386 .0411 .0305
	Wat .733 .741 -.049 .23 .051
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	Hilairite-(Sr)
	Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
	European Journal of Mineralogy 21 (2009) 495-506
	Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
	Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
	Note: sample was synthesized by cation exchange at 150 C
	_database_code_amcsd 0007282
	20.964 20.964 7.836 90 90 120 R3
	atom x y z occ Uiso
	Sr1a .7976 .6512 .2809 .331 .042
	Sr1b .8229 .6342 .1516 .393 .063
	Sr1c .8672 .6894 .1497 .299 .0345
	Sr2 .3482 .6455 .2819 .330 .0410
	Zr1 0 0 .05775 .0155
	Zr2 .50235 .49769 .04918 .0175
	Si1 .6711 .6300 -.0898 .0482
	Si2 .5401 .3658 .1876 .0260
	Si3 .3295 .4565 .1786 .0413
	Si4 .3848 .5432 -.1484 .0188
	O1 .5987 .5565 -.091 .045
	O2 .5396 .5821 .215 .032
	O3 .6826 .6689 .102 .065
	O4 .6101 .3629 .209 .039
	O5 .3426 .5142 .3396 .060
	O6 .5496 .4497 .1925 .021
	O7 .4800 .3112 .331 .043
	O8 .2533 .3865 .193 .041
	O9 .3254 .4963 -.008 .044
	O10 .4035 .4451 .1740 .029
	O11 .4592 .5475 -.120 .056
	O12 .3921 .6256 -.155 .038
	Wat1 .832 .7748 .227 .64 .074
	Wat2 .6872 .5256 .241 .33 .027
	Wat3 .4220 .6655 .178 .73 .076
	Wat4 .915 .673 .161 .50 .066
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	Hilairite-(Ba)
	Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
	European Journal of Mineralogy 21 (2009) 495-506
	Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
	Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
	Note: sample was synthesized by cation exchange at 150 C
	_database_code_amcsd 0007283
	20.976 20.976 7.857 90 90 120 R3
	atom x y z occ Uiso
	Ba1 .82788 .65729 .21606 .981 .0363
	Ba2 1/3 2/3 .22359 .888 .0415
	Zr1 0 0 .04324 .0103
	Zr2 .50167 .49847 .05010 .01048
	Si1 .67151 .62881 -.0854 .0182
	Si2 .53776 .36444 .1893 .0186
	Si3 .32781 .4561 .1793 .0299
	Si4 .38388 .54418 -.1438 .0193
	O1 .5992 .5513 -.0868 .0255
	O2 .5464 .5834 .2222 .028
	O3 .6837 .6671 .0998 .035
	O4 .6158 .3712 .2147 .028
	O5 .3445 .5121 .3365 .0339
	O6 .5339 .4418 .2033 .0264
	O7 .4813 .3134 .3367 .0195
	O8 .2544 .3827 .2013 .0302
	O9 .3239 .4970 .0022 .0357
	O10 .4010 .4477 .1735 .0292
	O11 .4601 .5487 -.1112 .0252
	O12 .3817 .6229 -.1456 .050
	Wat1 .8326 .7871 .2289 .0345
	Wat2 .6972 .5293 .2186 .045
	Wat3 .4609 .6694 .2128 .058
	Wat4 .9668 .6748 .1892 .048
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	Hilairite-(Ca)
	Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
	European Journal of Mineralogy 21 (2009) 495-506
	Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
	Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
	Note: sample was synthesized by cation exchange at 150 C
	_database_code_amcsd 0007284
	10.456 10.456 7.995 90 90 120 R3
	atom x y z occ Uiso
	Ca1a 0 0 .65406 .769 .0440
	Ca1b 0 0 .570 .057 .044
	Zr 0 0 .05443 .01018
	Si .41057 .41756 .52857 .01112
	O1 .0922 .1779 .8848 .0161
	O2 -.0929 -.1912 .1900 .0167
	O3 .6588 .0166 .0176 .0189
	Wat .0112 .2011 .5025 .0644
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	Hilairite-(Pb)
	Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E
	European Journal of Mineralogy 21 (2009) 495-506
	Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
	Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
	Note: sample was synthesized by cation exchange at 150 C
	_database_code_amcsd 0007285
	10.477 10.477 7.994 90 90 120 R3
	atom x y z occ Uiso
	Pb1a 0 0 .647926 .801 .02456
	Na1a 0 0 .647926 .179 .02456
	Pb1b 0 0 .456 .020 .016
	Zr 0 0 .06932 .0109
	Si .40987 .41728 .53671 .0132
	O1 .0923 .1772 .8923 .0179
	O2 -.0923 -.1913 .2001 .0194
	O3 .6607 .0182 .0231 .0220
	Wat .0127 .2422 .5170 .95 .046
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	Florkeite
	Lengauer C L, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 21 (2009) 901-913
	Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite
	from the Bellerberg, East Eifel volcanic are, Germany
	Locality: Bellerberg, East Eifel volcanic are, Germany
	_database_code_amcsd 0007333
	19.965 14.274 8.704 88.37 125.08 89.57 P-1
	atom x y z occ Uiso
	K1 .42233 .25788 .1458 .0364
	K2 .93846 .25093 .2404 .0391
	K3 .58471 .74160 .3841 .929 .0401
	Ca1 .79023 .34993 .45758 .01545
	Ca2 .80461 .87723 .44598 .01831
	Na1 .29777 .86755 .4346 .0286
	AlT11a1 .02844 .49169 .28751 .0080
	AlT11a2 .52883 .49306 .28907 .0098
	AlT11b1 .87079 .02570 .26861 .0075
	AlT11b2 .37495 .03013 .27589 .0087
	SiT12a1 .37201 .46214 .29001 .0093
	SiT12a2 .87106 .46418 .28681 .0087
	SiT12b1 .53421 .00003 .28286 .0107
	SiT12b2 .03764 -.00150 .29276 .0077
	SiT21a1 .43055 .64274 .93572 .0099
	SiT21a2 .92821 .64052 .92854 .0087
	SiT21b1 .79195 .85668 .01889 .0078
	SiT21b2 .29368 .85804 .03109 .0084
	AlT22a1 .29112 .64051 .99642 .0089
	AlT22a2 .78790 .63934 .98581 .0090
	AlT22b1 .93495 .86340 .95613 .0080
	AlT22b2 .43047 .86598 .94411 .0090
	O11a1 .32887 .5601 .1795 .0191
	O11a2 .82589 .5612 .1755 .0182
	O11b1 .51464 .9138 .1437 .0150
	O11b2 .01834 .9097 .1620 .0138
	O12a1 -.00618 .5851 .1255 .0178
	O12a2 .49271 .5879 .1336 .0219
	O12b1 .82500 .9166 .2062 .0141
	O12b2 .33359 .9193 .2178 .0148
	O21a1 .31560 .3733 .1849 .0151
	O21a2 .81019 .3759 .1938 .0121
	O21b1 .58569 .0802 .2576 .0149
	O21b2 .07803 .0826 .2434 .0123
	O22a1 .07289 .4007 .2443 .0174
	O22a2 .56709 .4014 .2306 .0181
	O22b1 .80339 .1142 .1153 .0146
	O22b2 .30379 .1181 .1362 .0186
	O31a .54043 .2499 .0415 .0180
	O31b .04227 .2528 .0452 .0181
	O32a .19655 .2519 .9143 .0157
	O32b .69751 .2513 .9050 .0146
	O41a .45767 .4419 .3144 .0179
	O41b .95249 .4418 .2966 .0159
	O42a .95757 .0391 .2729 .0143
	O42b .45140 .0468 .2427 .0189
	O51a .33584 .6396 .8706 .0161
	O51b .83552 .6349 .8697 .0186
	O52a .84355 .8837 .9338 .0162
	O52b .33933 .8775 .9277 .0154
	O61a .38921 .4655 .4974 .0146
	O61b .89235 .4634 .4981 .0126
	O62a .40581 .0463 .5041 .0178
	O62b .88963 .0335 .4905 .0130
	Wat1 .8871 .7439 .4771 .0297
	Wat2 .0646 .7391 .4181 .0408
	Wat3A .1543 .8573 .1475 .0344
	Wat3B .6626 .8808 .1736 .0274
	Wat3C .1391 .6690 .2085 .0478
	Wat3D .6850 .6313 .2069 .093
	Wat4A .2503 .2550 .4746 .0389
	Wat4B .7734 .1803 .4227 .0218
	Wat5A .2488 .5004 .4791 .0337
	Wat5B .2520 .0352 .4237 .0260
	Wat6 .5291 .2673 .5426 .0582
	Wat7 .3105 .6972 .4630 .0265
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	SrY2Si3O10
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 22 (2010) 245-258
	Synthesis and structural study of five new trisilicates, BaREE2Si3O10
	(REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
	including a review on the geometry of the Si3O10 unit
	Locality: synthetic
	_database_code_amcsd 0017778
	6.757 6.885 9.273 72.42 86.37 88.37 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)
	Sr .40204 1.09633 .18129 .00803 .00836 .01022 .00671 .00034 .00009 -.00451
	Y1 .14049 .75395 .50868 .00539 .00665 .00544 .00376 -.00029 .00062 -.00106
	Y2 .15773 .26100 .80949 .00603 .00719 .00706 .00368 .00070 -.00052 -.00145
	Si1 -.32710 .72724 .54106 .00477 .0055 .0059 .0031 -.0004 .0006 -.0017
	Si2 -.33578 .35808 .83142 .00482 .0059 .0057 .0028 -.0008 .0001 -.0011
	Si3 .12082 .74399 .87301 .00546 .0073 .0060 .0036 -.0011 .0004 -.0023
	O1 .4686 .7914 .4625 .0092 .0064 .0114 .0089 .0004 -.0020 -.0016
	O2 .1770 .3968 .5462 .0072 .0101 .0071 .0044 .0005 .0009 -.0019
	O3 .1810 1.1010 .4333 .0076 .0073 .0080 .0078 -.0016 -.0002 -.0029
	O4 .3855 1.4143 .2811 .0087 .0116 .0076 .0052 .0009 .0022 -.0002
	O5 .4686 .2219 .8815 .0076 .0073 .0087 .0062 -.0018 .0015 -.0015
	O6 .1697 .7576 .2502 .0081 .0073 .0102 .0073 .0003 .0008 -.0039
	O7 -.2599 .3853 .9877 .0112 .014 .0125 .0080 .0032 -.0058 -.0039
	O8 .0871 .2050 1.0522 .0097 .0090 .0143 .0070 .0010 .0017 -.0056
	O9 .2298 -.0463 .7819 .0113 .0128 .0078 .0122 -.0026 .0041 -.0020
	O10 .1131 .6029 .7609 .0077 .0114 .0079 .0043 .0007 -.0014 -.0025
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	BaGd2Si3O10
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 22 (2010) 245-258
	Synthesis and structural study of five new trisilicates, BaREE2Si3O10
	(REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
	including a review on the geometry of the Si3O10 unit
	Locality: synthetic
	_database_code_amcsd 0017779
	5.435 12.241 6.932 90 106.26 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)
	Ba .76309 .25 .01950 .01043 .01082 .01265 .00833 .0 .00353 .0
	Gd .16111 .097282 .68786 .00711 .00864 .00756 .00498 -.00145 .00171 -.00072
	Si1 .5857 .25 .49058 .00606 .0053 .0089 .0041 .0 .0015 .0
	Si2 .30424 .06480 .21522 .00630 .0072 .0073 .0046 .0006 .0018 .0004
	O1 .3802 .25 .6184 .0084 .0087 .0069 .0106 .0 .0044 .0
	O2 .8778 .25 .6341 .0072 .004 .0073 .0075 .0 -.0028 .0
	O3 .5502 .1427 .3423 .0114 .0086 .0148 .0112 -.0029 .0034 -.0055
	O4 .4235 -.05280 .1889 .0123 .0123 .0097 .0138 .0031 .0019 -.0009
	O5 .1715 .1272 .0083 .0119 .0149 .0148 .0062 .0042 .0033 .0015
	O6 .0993 .0557 .3489 .0103 .0099 .0146 .0072 -.0037 .0038 -.0027
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	BaEr2Si3O10
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 22 (2010) 245-258
	Synthesis and structural study of five new trisilicates, BaREE2Si3O10
	(REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
	including a review on the geometry of the Si3O10 unit
	Locality: synthetic
	_database_code_amcsd 0017780
	5.389 12.163 6.840 90 106.47 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)
	Ba .76044 .25 .02001 .00912 .00924 .01048 .00822 .0 .00341 .0
	Er .15699 .099147 .68359 .00606 .00676 .00609 .00530 -.00096 .00168 -.00052
	Si1 .5821 .25 .48901 .0055 .0049 .0069 .0043 .0 .0006 .0
	Si2 .30418 .06145 .21296 .00539 .0059 .0055 .0048 .0005 .0016 .0004
	O1 .3664 .25 .6120 .0055 .0077 .0062 .0090 .0 .0028 .0
	O2 .8764 .25 .6349 .0069 .0073 .0060 .0058 .0 -.0010 .0
	O3 .5486 .1428 .3391 .0100 .0088 .0116 .0102 -.0021 .0038 -.0036
	O4 .4324 -.05483 .1907 .0098 .0094 .0073 .0124 .0008 .0027 -.0011
	O5 .1653 .12321 .0035 .0097 .0125 .0111 .0059 .0037 .0034 .0021
	O6 .1007 .05103 .3510 .0087 .0096 .0107 .0071 -.0033 .0044 -.0021
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	BaYb2Si3O10
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 22 (2010) 245-258
	Synthesis and structural study of five new trisilicates, BaREE2Si3O10
	(REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
	including a review on the geometry of the Si3O10 unit
	Locality: synthetic
	_database_code_amcsd 0017781
	5.377 12.1172 6.790 90 106.50 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)
	Ba .76007 .25 .02023 .00782 .00857 .00896 .00648 .0 .00306 .0
	Yb .15608 .099687 .681861 .00473 .00563 .00490 .00360 -.00092 .00122 -.00038
	Si1 .5806 .25 .48781 .00444 .0041 .0056 .0038 .0 .0014 .0
	Si2 .30406 .05998 .21198 .00450 .0049 .0049 .0036 .0001 .0011 .0001
	O1 .3693 .25 .6147 .0075 .0040 .0054 .0081 .0 .0030 .0
	O2 .8767 .25 .6342 .0054 .0032 .0062 .0052 .0 -.0014 .0
	O3 .5473 .14243 .3370 .0080 .0069 .0099 .0077 -.0032 .0028 -.0035
	O4 .4365 -.05640 .1921 .0088 .0085 .0056 .0116 .0014 .0017 -.0012
	O5 .1620 .12120 -.0012 .0089 .0111 .0114 .0042 .0045 .0021 .0015
	O6 .1018 .04972 .3521 .0077 .0074 .0091 .0075 -.0026 .0036 -.0016
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	BaSc2Si3O10
	Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
	European Journal of Mineralogy 22 (2010) 245-258
	Synthesis and structural study of five new trisilicates, BaREE2Si3O10
	(REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
	including a review on the geometry of the Si3O10 unit
	Locality: synthetic
	_database_code_amcsd 0017782
	5.273 11.9181 6.591 90 107.06 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)
	Ba .76012 .25 .02596 .00801 .00872 .00892 .00713 .0 .00345 .0
	Sc .15220 .10169 .67722 .00500 .00530 .00548 .00416 -.00060 .00128 -.00031
	Si1 .57325 .25 .48861 .00458 .0038 .0058 .0042 .0 .0014 .0
	Si2 .30205 .05428 .20976 .00468 .0049 .0052 .0040 .00035 .00150 .00043
	O1 .3466 .25 .6085 .0065 .0065 .0060 .0082 .0 .0041 .0
	O2 .8764 .25 .6375 .0063 .0047 .0072 .0059 .0 -.0002 .0
	O3 .5414 .14231 .3320 .0087 .0089 .0091 .0094 -.0026 .0046 -.0038
	O4 .4547 -.06061 .1994 .0080 .0064 .0064 .0104 .0011 .0013 -.0007
	O5 .1494 .11263 -.0135 .0089 .0105 .0105 .0056 .0033 .0022 .0013
	O6 .0995 .04364 .3570 .0069 .0070 .0087 .0054 -.0020 .0026 -.0015
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	Heftetjernite
	Kolitsch U, Kristiansen R, Raade G, Tillmanns E
	European Journal of Mineralogy 22 (2010) 309-316
	Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway
	Locality: the Heftetjern pegmatite, Tordal, Norway
	_database_code_amcsd 0007337
	4.784 5.693 5.120 90 91.15 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)
	Sc .5 .67390 .25 .50 .00540 .0046 .0065 .0051 0 .00044 0
	Sn .5 .67390 .25 .20 .00540 .0046 .0065 .0051 0 .00044 0
	Mn .5 .67390 .25 .18 .00540 .0046 .0065 .0051 0 .00044 0
	Fe .5 .67390 .25 .07 .00540 .0046 .0065 .0051 0 .00044 0
	Ti .5 .67390 .25 .05 .00540 .0046 .0065 .0051 0 .00044 0
	Ta .0 .17541 .25 .580 .00513 .00486 .00506 .00546 0 -.00057 0
	Nb .0 .17541 .25 .420 .00513 .00486 .00506 .00546 0 -.00057 0
	O1 .2197 .1076 .9325 .0101 .0101 .0101 .0103 -.0010 .0001 -.0012
	O2 .2644 .3845 .4067 .0097 .0092 .0099 .0098 .0017 -.0005 .0000
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	Pb3Fe2(PO4)4(H2O)
	Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R,
	Matsubara S, Tillmanns E
	European Journal of Mineralogy 22 (2010) 595-604
	Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure
	with double-strand chains
	Locality: synthetic
	T = 220 C
	_database_code_amcsd 0017730
	9.0440 9.0440 16.766 90 90 90 P4_12_12
	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 .13213 .13213 0 .01348 .0132 .0132 .0140 -.0026 .00283 -.00283
	Pb2 .07837 .34364 .26523 .02156 .0256 .0270 .0121 -.0060 -.0006 .0007
	Fe .5003 .25894 .12075 .0047 .0040 .0066 .0033 -.0003 .0001 -.0004
	P1 .2283 .4920 .07791 .0069 .0059 .0114 .0034 .0021 .0008 -.0007
	P2 .4681 .2687 .31889 .0074 .0139 .0021 .0063 -.0022 .0008 .0001
	O1 .5226 .2219 .2380 .017 .021 .025 .004 -.002 .001 -.001
	O2 .1025 .3816 .0675 .0143 .008 .017 .018 -.004 -.002 -.006
	O3 .3401 .3772 .3149 .018 .027 .012 .015 .011 .004 .000
	O4 .3589 .4244 .1252 .0102 .009 .012 .009 .007 -.006 -.003
	O5 .0960 .1684 .3809 .0106 .010 .014 .008 .009 .002 .002
	O6 .4234 .1281 .3665 .0074 .011 .006 .005 -.001 .000 .003
	O7 .2169 .0449 .2528 .0157 .016 .025 .006 .001 .004 .005
	O8 .3245 .1219 .1190 .013 .009 .010 .018 -.007 -.002 .003
	Wat -.150 .082 .2375 .5 .010
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	Eirikite
	Larsen A O, Kolitsch U, Gault R A, Giester G
	European Journal of Mineralogy 22 (2010) 875-880
	Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway
	Locality: Langesundsfjord district, Norway
	_database_code_amcsd 0017881
	14.386 14.386 4.873 90 90 120 P-3m1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	KA 0 0 0 .983 .0438 .0460 .0460 .0394 .0230 0 0
	Na .75075 -.75075 .20243 .01861 .01746 .01746 .0164 .0054 .00316 -.00316
	NaB 0 0 .5 .017 .04
	BeT4 1/3 2/3 .3685 .0080 .0079 .0079 .0080 .0040 0 0
	SiT1 0 .21580 .5 5/6 .00921 .00949 .00935 .00883 .00475 -.00116 -.00058
	AlT1 0 .21580 .5 1/6 .00921 .00949 .00935 .00883 .00475 -.00116 -.00058
	SiT2 0 .34389 0 5/6 .00717 .00752 .00675 .00750 .00376 .00040 .00020
	AlT2 0 .34389 0 1/6 .00717 .00752 .00675 .00750 .00376 .00040 .00020
	SiT3 .447403 -.447403 .30818 5/6 .00624 .00725 .00725 .00607 .00501 .00005 -.00005
	AlT3 .447403 -.447403 .30818 1/6 .00624 .00725 .00725 .00607 .00501 .00005 -.00005
	O1 .09980 -.09980 .38138 .01764 .0164 .0164 .0154 .0047 -.00408 .00408
	O2 .30843 .25990 .24793 .01445 .0157 .0131 .0152 .0077 .0054 .00539
	O3 .35937 .45859 .10578 .01207 .0132 .0094 .0147 .00642 -.00411 -.00318
	O4 .5 0 .5 .0139 .0175 .0078 .0134 .0039 -.00247 -.0049
	O5 .39429 -.39429 .48464 .01058 .0143 .0143 .0087 .0113 .00051 -.00051
	F 1/3 2/3 .0448 .0136 .0168 .0168 .0073 .00839 0 0
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	CuSeO4*5H2O
	Kolitsch U
	Acta Crystallographica E57 (2001) i104-i105
	Copper(II) selenate pentahydrate, CuSeO4*5H2O
	_database_code_amcsd 0010368
	6.0830 6.2260 10.867 77.14 82.20 72.91 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 .5 0 .5 .01508 .01494 .01619 .01447 -.00458 -.00295 -.00216
	Cu2 .5 .5 0 .01372 .01208 .01243 .01771 -.00461 .00224 -.00541
	Se .11983 .99149 .786458 .01186 .01034 .01100 .01389 -.00214 -.00040 -.00304
	O1 .1324 .1562 .88206 .0231 .0189 .0260 .0293 -.0044 -.0037 -.0166
	O2 .1749 .1093 .63939 .0223 .0247 .0199 .0169 -.0045 .0043 .0016
	O3 .3016 .7369 .81883 .0229 .0234 .0160 .0213 .0059 -.0032 -.0017
	O4 -.1434 .9620 .80059 .0196 .0134 .0235 .0242 -.0083 .0009 -.0066
	OW5 .5168 .2441 .92351 .0302 .0143 .0283 .0562 -.0046 .0018 -.0295
	OW6 .2114 .4628 .09532 .0275 .0175 .0157 .0444 -.0048 .0116 -.0037
	OW7 .3523 .8181 .42929 .0239 .0261 .0270 .0225 -.0133 -.0070 -.0018
	OW8 .3530 .2836 .38201 .0223 .0210 .0247 .0175 -.0037 -.0018 .0006
	OW9 .1239 .5730 .62223 .0260 .0296 .0180 .0293 -.0059 -.0011 -.0040
	H51 .411 .222 .911 .049
	H52 .630 .161 .895 .042
	H61 .116 .570 .097 .040
	H62 .181 .344 .117 .045
	H71 .274 .749 .482 .038
	H72 .278 .886 .370 .048
	H81 .178 .351 .368 .090
	H82 .415 .306 .325 .046
	H91 .180 .584 .677 .044
	H92 .159 .434 .624 .055
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	Flinkite
	Kolitsch U
	Acta Crystallographica E57 (2001) i115-i118
	Redetermination of the mixed-valence manganese arsenate flinkite,
	MnII2MnIII(OH)4(AsO4)
	Locality: synthetic
	_database_code_amcsd 0010370
	9.483 13.030 5.3390 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)
	Mn1 0 0 0 .00784 .0076 .0095 .0065 -.00051 .00026 -.00132
	Mn2 .02051 .13025 .48313 .01049 .01290 .00879 .00977 -.00048 .00050 -.00059
	As .15431 .75 .02622 .00615 .00659 .00550 .00636 0 .00033 0
	O2 -.09358 .14410 .8279 .0115 .0151 .0091 .0104 .0035 .0025 -.0013
	O4 .1032 .75 .7226 .0121 .0170 .0110 .0084 0 -.0027 0
	O5 .1677 .25 .5548 .0106 .0062 .0090 .0166 0 .0009 0
	Oh1 .14134 .08274 .1580 .0106 .0099 .0111 .0108 -.0015 .0003 -.0009
	Oh3 -.09925 .00406 .3108 .0092 .0077 .0109 .0089 .0014 .0009 -.0006
	H1 .160 .128 .045 .030
	H3 -.185 .021 .302 .030
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	Pyrobelonite
	Kolitsch U
	Acta Crystallographica E57 (2001) i119-i121
	Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group
	Locality: synthetic
	_database_code_amcsd 0010371
	7.646 6.1790 9.507 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 .13286 .25 .177529 .01086 .01011 .01714 .00532 0 .00006 0
	Mn 0 0 .5 .00650 .0089 .0049 .0057 -.0007 .0002 .0008
	V .36513 .75 .31118 .00422 .0049 .0048 .0029 0 .0012 0
	O1 .1882 .75 .4274 .0082 .0099 .0087 .0058 0 .0028 0
	O2 .5407 .75 .4133 .0178 .0083 .034 .0106 0 -.0038 0
	O3 .3728 .5128 .2099 .0103 .0137 .0084 .0089 .0012 .0027 -.0011
	Oh4 .1565 .25 .4244 .0072 .0050 .0068 .0098 0 -.0031 0
	H .243 .25 .465 .020
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	MgSeO4*6H2O
	Kolitsch U
	Acta Crystallographica E58 (2002) i3-i5
	Magnesium selenate hexahydrate, MgSeO4*6H2O
	_database_code_amcsd 0010373
	10.2240 7.3700 24.866 90 98.410 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)
	Mg1 0 .55734 .25 .02230 .0251 .0179 .0232 0 .0014 0
	Mg2 0 .5 .5 .02481 .0237 .0226 .0267 .0005 -.0013 -.0022
	Se .133134 .051178 .375932 .02280 .02295 .01662 .02709 .00057 -.00220 -.00064
	O1 .00439 .05561 .32896 .0437 .0422 .0266 .0528 .0041 -.0246 -.0035
	O2 .20993 .24717 .38015 .0346 .0346 .0206 .0454 -.0065 -.0048 .0045
	O3 .23457 -.11099 .36311 .0312 .0327 .0262 .0343 .0077 .0034 -.0029
	O4 .08780 .00989 .43555 .0348 .0406 .0297 .0359 .0016 .0111 -.0005
	OW5 .13620 .55724 .31969 .0397 .0568 .0248 .0314 -.0049 -.0138 .0015
	OW6 -.11414 .75465 .27932 .0361 .0329 .0288 .0463 .0037 .0051 -.0110
	OW7 -.11127 .35396 .28048 .0302 .0325 .0238 .0348 .0019 .0072 .0053
	OW8 .08178 .70830 .54804 .0374 .0339 .0316 .0421 .0075 -.0097 -.0135
	OW9 -.03766 .6828 .43755 .0491 .0420 .0433 .0542 -.0176 -.0187 .0214
	OW10 .18678 .4564 .47797 .0427 .0272 .0559 .0441 .0026 .0020 -.0197
	H51 .160 .657 .3357 .060
	H52 .149 .465 .3421 .060
	H61 -.078 .842 .2987 .060
	H62 -.1954 .771 .2739 .060
	H71 -.069 .259 .2950 .060
	H72 -.159 .386 .3051 .060
	H81 .140 .694 .5751 .060
	H82 .037 .801 .5523 .060
	H91 .003 .785 .4375 .060
	H92 -.1114 .702 .4187 .060
	H101 .199 .380 .4542 .060
	H102 .261 .476 .4984 .060
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	(NH4)(Zn,Ga)2(PO4)2
	Mrak M, Kolitsch U, Kaucic V, Tillmanns E
	Acta Crystallographica E58 (2002) i44-i48
	(NH4)(Zn,Ga)2(PO4)2, an open-framework structure
	_database_code_amcsd 0010377
	13.370 13.190 8.998 90 100.46 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)
	Zn1 .37042 .05625 .11547 .50 .01214 .00842 .01667 .01109 .00092 .00113 -.00309
	Ga1 .37042 .05625 .11547 .50 .01214 .00842 .01667 .01109 .00092 .00113 -.00309
	Zn2 .58004 .37567 .06484 .50 .01230 .00988 .01168 .01535 -.00052 .00234 -.00154
	Ga2 .58004 .37567 .06484 .50 .01230 .00988 .01168 .01535 -.00052 .00234 -.00154
	P1 .35211 .43822 .08472 .01297 .0091 .0163 .0129 -.0022 .0002 .0046
	P2 .57660 .13577 .04242 .01139 .0103 .0106 .0135 -.0002 .0029 .0010
	O1 .6526 .4051 .2552 .0491 .0523 .073 .0190 .0085 -.0003 -.0202
	O2 .63921 .44698 -.0795 .0257 .0287 .0188 .0332 -.0043 .0155 -.0028
	O3 .24507 .10156 .0141 .0251 .0132 .0209 .0374 .0020 -.0059 -.0065
	O4 .43892 .38788 .0219 .0293 .0111 .0226 .0549 .0019 .0083 -.0048
	O5 .36881 .0803 .3189 .0358 .0272 .0629 .0187 -.0208 .0079 -.0154
	O6 .61803 .24192 .0297 .0370 .0267 .0148 .075 -.0065 .0246 -.0068
	O7 .46198 .14235 .0414 .0203 .0134 .0175 .0311 -.0003 .0066 .0027
	O8 .40204 -.07976 .0977 .0228 .0274 .0249 .0176 .0034 .0083 -.0005
	N .3244 .2490 -.2222 .0294 .0212 .0418 .0259 -.0028 .0059 -.0108
	H1 .294 .302 -.250 .050
	H2 .265 .217 -.221 .050
	H3 .357 .222 -.287 .050
	H4 .371 .270 -.157 .050
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	K4(CrO4)(NO3)2
	Kolitsch U
	Acta Crystallographica E58 (2002) i88-i90
	K4(CrO4)(NO3)2, the first chromate(VI)-nitrate
	_database_code_amcsd 0010386
	10.143 11.149 9.837 90 106.31 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)
	K1 .35921 .12280 .03356 .02566 .0186 .0294 .0277 -.0019 .0043 -.0008
	K2 .36336 .87896 .53445 .02938 .0246 .0332 .0318 -.0004 .0104 .0011
	K3 .09503 .62574 .61292 .02560 .0340 .0200 .0251 -.0029 .0120 -.0012
	K4 .08402 .12720 .60806 .02717 .0404 .0192 .0209 .0034 .0070 .0002
	Cr .20415 .88240 .80931 .01722 .0178 .0173 .01624 .00061 .00418 .00013
	N1 .1539 .37197 .7980 .0214 .0272 .0188 .0193 -.0031 .0085 -.0013
	N2 .5070 .63781 .7679 .0261 .0256 .0279 .0257 .0032 .0087 .0005
	O1 .15608 .46875 .86197 .0296 .0378 .0202 .0297 -.0037 .0078 -.0067
	O2 .14715 .27453 .85857 .0287 .0345 .0217 .0303 .0034 .0099 .0062
	O3 .15162 .37247 .66926 .0291 .0356 .0304 .0254 -.0005 .0153 .0007
	O4 .3974 .5874 .7275 .0819 .0421 .102 .104 -.0279 .0245 -.0573
	O5 .5486 .7099 .6946 .0620 .0910 .0566 .0531 .0181 .0442 .0178
	O6 .4216 .1246 .6065 .0508 .0642 .0468 .0357 -.0108 .0047 -.0043
	O7 .37171 .8941 .8475 .0433 .0157 .0647 .0466 -.0019 .0039 -.0052
	O8 .15907 .75791 .87380 .0291 .0425 .0197 .0271 -.0012 .0130 .0041
	O9 .14067 .88209 .63575 .0242 .0275 .0261 .0181 -.0003 .0049 -.0016
	O10 .14221 .99815 .87589 .0238 .0291 .0201 .0231 .0022 .0087 -.0030
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	KCrO3Cl
	Kolitsch U
	Acta Crystallographica E58 (2002) i105-i107
	Redetermination of potassium chlorochromate, KCrO3Cl
	_database_code_amcsd 0010390
	7.838 7.4930 7.812 90 91.40 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)
	K .30127 .63961 .86872 .03601 .0489 .0303 .0287 -.0019 -.0029 -.00078
	Cr .28241 .12435 .87486 .02481 .0256 .0236 .0252 -.00018 .00016 -.00001
	Cl .04765 .28306 .85952 .0406 .0309 .0416 .0491 .0069 -.0001 -.0004
	O1 .4366 .2626 .8906 .0479 .0342 .0367 .0724 -.0082 -.0048 -.0026
	O2 .2965 .0072 .7049 .0457 .0501 .0480 .0388 .0106 -.0010 -.0146
	O3 .2764 -.0052 .0374 .0493 .0530 .0519 .0435 .0119 .0096 .0195
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	NaAl(MoO4)2
	Kolitsch U, Macka M, Hanuza J
	Acta Crystallographica E59 (2003) i10-i13
	NaAl(MoO4)2: a rare structure type among layered yavapaiite-related AM(XO4)2 compounds
	_database_code_amcsd 0010395
	9.621 5.3390 13.146 90 90.01 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)
	Na 0 -.0685 .25 .0232 .0329 .0205 .0164 0 .0050 0
	Al 0 0 0 .00759 .0060 .0078 .0089 -.0001 -.0006 .0008
	Mo .169680 .46923 .122124 .00768 .00691 .00757 .00857 -.00013 .00015 .00000
	O1 .08830 .7070 .05141 .0160 .0141 .0104 .0234 .0014 -.0037 .0032
	O2 .34454 .4289 .08134 .0156 .0095 .0181 .0193 -.0005 .0034 .0053
	O3 .07332 .1828 .11055 .0128 .0151 .0104 .0131 -.0037 -.0024 .0003
	O4 .16751 .5629 .24701 .0204 .0249 .0223 .0139 -.0001 -.0008 -.0059
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	Sc2TiO5
	Kolitsch U, Tillmanns E
	Acta Crystallographica E59 (2003) i36-i39
	Sc2TiO5, an entropy-stabilized pseudobrookite-type compound
	_database_code_amcsd 0010400
	3.8510 10.131 10.287 90 90 90 Cmcm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sc1 0 .36444 .43775 .60 .00474 .00496 .00393 .00533 0 0 -.00004
	Ti1 0 .36444 .43775 .40 .00474 .00496 .00393 .00533 0 0 -.00004
	Sc2 0 .30752 .75 .80 .00549 .0059 .0061 .0044 0 0 0
	Ti2 0 .30752 .75 .20 .00549 .0059 .0061 .0044 0 0 0
	O1 0 .45339 .61424 .0146 .0159 .0184 .0095 0 0 .0059
	O2 -.5 .23222 .7500 .0088 .0078 .0112 .0075 0 0 0
	O3 0 .19241 .57087 .0096 .0114 .0092 .0082 0 0 -.0002
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	Bi3ScMo2O12
	Kolitsch U, Tillmanns E
	Acta Crystallographica E59 (2003) i43-i46
	Bi3ScMo2O12: the difference from Bi3FeMo2O12
	_database_code_amcsd 0010402
	16.996 11.601 5.3190 90 104.67 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)
	Bi1 .154483 .881574 .42921 .00517 .00429 .00643 .00466 .00036 .00089 .00099
	Bi2 0 .662245 .25 .00605 .00514 .00476 .00849 0 .00216 0
	Sc3 0 .09325 .25 .9589 .0063 .0037 .0133 .0022 0 .0010 0
	Bi3 0 .09325 .25 .0411 .0063 .0037 .0133 .0022 0 .0010 0
	Mo .16858 .37156 .42735 .00543 .00468 .00784 .00425 -.00094 .00201 -.00038
	O1 .08237 .0238 .5871 .0061 .0044 .0079 .0055 .0000 .0005 -.0011
	O2 .05005 .2055 .0279 .0084 .0065 .0082 .0115 .0041 .0038 .0030
	O3 .2165 .2877 .2330 .0111 .0098 .0120 .0129 -.0007 .0055 -.0027
	O4 .11628 .2825 .6196 .0093 .0096 .0096 .0110 .0011 .0069 .0031
	O5 .0948 .4556 .2225 .0144 .0158 .0144 .0124 .0028 .0027 .0014
	O6 .2466 .4544 .6306 .0122 .0142 .0115 .0095 -.0050 .0006 -.0008
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	Li3Sc(MoO4)3
	Kolitsch U, Tillmanns E
	Acta Crystallographica E59 (2003) i55-i58
	Li3Sc(MoO4)3: substitutional disorder on three (Li,Sc) sites
	_database_code_amcsd 0010405
	5.1300 10.560 17.745 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)
	Li1 .1048 .25 .25027 .58 .0289 .0522 .0172 .0172 0 .0012 0
	Sc1 .1048 .25 .25027 .42 .0289 .0522 .0172 .0172 0 .0012 0
	Li2 .7547 .57420 .02731 .749 .0129 .0112 .0150 .0125 .0003 .0007 .0022
	Sc2 .7547 .57420 .02731 .251 .0129 .0112 .0150 .0125 .0003 .0007 .0022
	Li3 .2446 .75 .3018 .922 .0237 .017 .023 .031 0 .0049 0
	Sc3 .2446 .75 .3018 .078 .0237 .017 .023 .031 0 .0049 0
	Mo1 .27559 .52755 .156515 .01468 .01428 .01484 .01493 .00046 -.00045 .00130
	Mo2 .77812 .25 .057110 .01320 .01243 .01373 .01345 0 .00018 0
	O1 .8588 .25 .15432 .0201 .0230 .0185 .0189 0 -.0035 0
	O2 .0531 .25 -.00495 .0194 .0171 .0184 .0227 0 .0026 0
	O3 .5831 .1167 .03722 .0201 .0180 .0219 .0203 -.0021 -.0015 -.0009
	O4 .0838 .4902 .07587 .0199 .0167 .0240 .0190 .0011 -.0006 .0014
	O5 .0797 .6233 .21271 .0240 .0226 .0256 .0237 .0031 .0005 -.0030
	O6 .3528 .38437 .20513 .0195 .0208 .0196 .0183 .0005 -.0006 .0019
	O7 .5554 .61262 .12713 .0208 .0203 .0209 .0210 -.0030 .0007 -.0005
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	Wolfeite
	Kolitsch U
	Acta Crystallographica E59 (2003) i125-i128
	Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and
	Raman spectroscopic data
	Locality: Big Fish River area, Yukon Territory, Canada
	_database_code_amcsd 0010412
	12.274 13.169 9.754 90 108.64 90 P2_1/a
	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 .18625 .479059 .19287 .00980 .00932 .00976 .01031 .00155 .00313 .00193
	Fe2 .19712 .996441 .21294 .01034 .01194 .01006 .00902 .00231 .00332 -.00030
	Fe3 .30503 .752291 .29253 .00998 .01030 .01092 .00870 .00261 .00302 -.00027
	Fe4 .31941 .269768 .30463 .00970 .01000 .00933 .00988 .00135 .00332 .00222
	Fe5 .09673 .070820 .46928 .9027 .00829 .00825 .00839 .00808 .00027 .00240 -.00064
	Mg5 .09673 .070820 .46928 .0973 .00829 .00825 .00839 .00808 .00027 .00240 -.00064
	Fe6 .08530 .573760 .45154 .7596 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088
	Mg6 .08530 .573760 .45154 .2404 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088
	Fe7 .39431 .674980 .03060 .8138 .00814 .00801 .00822 .00862 .00041 .00326 -.00066
	Mg7 .39431 .674980 .03060 .1862 .00814 .00801 .00822 .00862 .00041 .00326 -.00066
	Fe8 .42084 .178485 .03902 .8806 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043
	Mg8 .42084 .178485 .03902 .1194 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043
	P1 .07895 .82096 .38003 .00565 .00545 .00578 .00571 -.00009 .00176 .00009
	P2 .07554 .32667 .38279 .00547 .00580 .00500 .00588 -.00005 .00223 .00013
	P3 .42320 .42224 .11305 .00546 .00535 .00528 .00568 .00005 .00167 .00015
	P4 .42369 .92805 .11974 .00582 .00575 .00600 .00584 -.00029 .00204 .00004
	O1 .04746 .41493 .46857 .0105 .0128 .0079 .0132 -.0012 .0076 -.0028
	O2 .06154 .90756 .47864 .0095 .0112 .0089 .0097 -.0009 .0049 -.0034
	O3 .43160 .84078 .01678 .0097 .0107 .0096 .0103 -.0011 .0054 -.0037
	O4 .45635 .33768 .02509 .0094 .0102 .0080 .0111 -.0011 .0049 -.0023
	O5 .02635 .04737 .24273 .0107 .0082 .0139 .0087 .0021 .0008 .0012
	O6 .04291 .55442 .23235 .0110 .0081 .0158 .0076 .0037 .0005 -.0011
	O7 .46682 .70250 .25868 .0098 .0073 .0130 .0082 .0017 .0012 .0003
	O8 .46690 .20262 .25864 .0113 .0101 .0147 .0073 .0035 .0001 -.0003
	O9 .17393 .84775 .31437 .0094 .0081 .0098 .0117 .0004 .0053 .0012
	O10 .17245 .36054 .32331 .0095 .0089 .0097 .0124 .0012 .0068 .0026
	O11 .32337 .38398 .16515 .0092 .0077 .0094 .0117 .0011 .0051 .0024
	O12 .33522 .90386 .19588 .0094 .0100 .0089 .0116 .0010 .0067 .0012
	O13 .11856 .72748 .48034 .0094 .0107 .0076 .0091 .0002 .0021 .0022
	O14 .11776 .23476 .48261 .0093 .0105 .0074 .0094 .0010 .0023 .0028
	O15 .38512 .02300 .02283 .0095 .0110 .0081 .0093 .0007 .0031 .0020
	O16 .37799 .51398 .01303 .0096 .0101 .0076 .0107 .0009 .0028 .0033
	O17 .25351 .03131 .43671 .0102 .0087 .0089 .0117 .0007 .0014 .0003
	O18 .20613 .16268 .19383 .0113 .0130 .0098 .0110 -.0023 .0038 -.0025
	O19 .24283 .71893 .06783 .0095 .0076 .0089 .0109 .0000 .0013 -.0002
	O20 .30215 .58247 .30905 .0112 .0129 .0110 .0106 -.0014 .0053 -.0014
	H1 .264 -.026 .459 .044
	H2 .155 .172 .224 .061
	H3 .236 .776 .044 .037
	H4 .353 .5759 .276 .038
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	Cs2Cr3O10
	Kolitsch U
	Acta Crystallographica E59 (2003) i164-i166
	alpha-Cs2Cr3O10
	_database_code_amcsd 0010415
	11.887 9.671 19.493 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)
	Cs1 .551246 .646114 .416422 .02978 .03058 .03135 .02740 -.00003 -.00390 .00029
	Cs2 .225573 .774086 .320165 .03163 .03385 .02909 .03193 .00131 -.00477 -.00476
	Cr1 .31124 .50625 -.024272 .02531 .03152 .02517 .01923 .00092 -.00251 -.00123
	Cr2 .37664 .69456 .112922 .02531 .02894 .02843 .01856 -.00166 -.00057 -.00149
	Cr3 .49513 .50362 .232628 .02427 .02743 .02293 .02244 -.00145 .00058 -.00026
	O1 .3544 .3499 -.02371 .0629 .100 .0376 .0507 .0266 -.0015 .0015
	O2 .18390 .5129 -.05239 .0441 .0371 .0575 .0377 -.0115 -.0107 .0051
	O3 .38996 .6022 -.07125 .0439 .0414 .0545 .0359 -.0095 .0059 .0033
	O4 .31084 .5724 .06318 .0395 .0481 .0456 .0247 -.0112 -.0030 -.0082
	O5 .28273 .7574 .16140 .0491 .0398 .0665 .0411 .0041 .0071 -.0213
	O6 .42874 .8151 .06763 .0442 .0536 .0353 .0436 -.0017 .0020 .0123
	O7 .48350 .6242 .16099 .0368 .0379 .0442 .0282 -.0016 -.0045 .0089
	O8 .62195 .5187 .26009 .0413 .0302 .0461 .0476 .0011 -.0061 .0127
	O9 .40740 .54400 .29248 .0345 .0373 .0359 .0304 -.0005 .0070 -.0031
	O10 .4713 .34858 .20758 .0480 .0753 .0296 .0393 -.0112 .0108 -.0103
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	K2Mg(CrO4)2*2H2O
	Fleck M, Kolitsch U
	Zeitschrift fur Kristallographie 218 (2003) 553-567
	Natural and synthetic compounds with krohnkite-type chains. An update
	_database_code_amcsd 0011100
	5.674 6.462 7.517 110.38 95.24 109.86 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)
	K .66488 .30324 .75993 .0231 .0258 .0205 .0211 .0100 .0021 .0062
	Mg 0 0 0 .0163 .0157 .0172 .0152 .0065 .0031 .0058
	Cr .66710 .33533 .23414 .01333 .0129 .0122 .0127 .00398 .00280 .00362
	O1 .6305 .1853 .3695 .0240 .0273 .0264 .0226 .0102 .0078 .0147
	O2 .7699 .6266 .3709 .0229 .0255 .0164 .0178 .0050 .0025 .0006
	O3 .3867 .2523 .0826 .0186 .0144 .0184 .0177 .0048 .0004 .0039
	O4 .8813 .2870 .1043 .0179 .0162 .0182 .0192 .0071 .0065 .0069
	Ow .9575 .0113 .7318 .0197 .0181 .0182 .0146 .0025 .0045 .0017
	H1 .078 .129 .727 .045
	H2 .908 -.127 .637 .046
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	K2Mg(MoO4)2*2H2O
	Fleck M, Kolitsch U
	Zeitschrift fur Kristallographie 218 (2003) 553-567
	Natural and synthetic compounds with krohnkite-type chains. An update
	_database_code_amcsd 0011101
	5.884 6.491 7.700 111.67 96.59 108.62 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)
	K .67417 .29845 .75558 .02202 .0247 .0190 .0195 .0092 .0016 .0060
	Mg 0 0 0 .0123 .0111 .0115 .0114 .0048 .0011 .0022
	Mo .66456 .33076 .23716 .01218 .01080 .01139 .01098 .00346 .00231 .00224
	O1 .6384 .1740 .3795 .0244 .0269 .0278 .0221 .0098 .0082 .0148
	O2 .7571 .6384 .3789 .0238 .0234 .0159 .0205 .0059 .0024 -.0018
	O3 .3722 .2359 .0754 .0199 .0129 .0189 .0203 .0027 -.0001 .0050
	O4 .8889 .2895 .1055 .0170 .0168 .0161 .0180 .0079 .0071 .0054
	Ow .9537 .0151 .7339 .0167 .0180 .0129 .0121 .0013 .0034 .0022
	H1 .033 .091 .722 .016
	H2 .912 -.068 .672 .015
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	K2Mn(SeO4)2*2H2O
	Fleck M, Kolitsch U
	Zeitschrift fur Kristallographie 218 (2003) 553-567
	Natural and synthetic compounds with krohnkite-type chains. An update
	_database_code_amcsd 0011102
	5.674 6.608 7.523 110.31 95.69 108.35 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)
	K .68352 .30772 .74334 .02853 .0371 .0197 .0229 .0067 .0059 .0057
	Mn 0 0 0 .02359 .0122 .0138 .0376 .00513 .0005 .0034
	Se .65503 .32202 .23050 .01431 .01222 .01364 .01298 .00230 .00320 .00285
	O1 .6153 .1539 .3481 .0383 .0455 .0358 .0237 -.0050 .0022 .0204
	O2 .7511 .5953 .3763 .0344 .0316 .0195 .0307 .0007 .0082 -.0064
	O3 .3879 .2571 .0784 .0253 .0130 .0216 .0342 .0038 -.0026 .0078
	O4 .8685 .2902 .1010 .0206 .0185 .0200 .0285 .0102 .0129 .0110
	Ow .9579 .0074 .7117 .0294 .0179 .0287 .0285 .0068 .0043 -.0013
	H1 .060 .018 .709 .10
	H2 .897 -.089 .651 .11
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	Messelite
	Fleck M, Kolitsch U
	Zeitschrift fur Kristallographie 218 (2003) 553-567
	Natural and synthetic compounds with krohnkite-type chains. An update
	Locality: "Leithorizont M", Messel oil shale, near Darmstadt, Germany
	_database_code_amcsd 0011103
	5.480 5.759 6.569 90.18 102.62 108.45 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)
	Ca .33074 .59859 .23367 .00850 .00850 .00777 .00897 .00296 .00098 .00026
	Fe 0 0 0 .89 .00831 .00634 .0077 .0096 .00189 -.00025 .00017
	Mg 0 0 0 .11 .00831 .00634 .0077 .0096 .00189 -.00025 .00017
	P .64755 .24189 .23269 .00625 .0058 .0064 .0063 .00147 .00177 .00056
	O1 .6162 -.0011 .32982 .0103 .0085 .0094 .0105 .0016 .0051 .0009
	O2 .6962 .4536 .39793 .0097 .0083 .0117 .0097 .0033 -.0006 -.0003
	O3 .3942 .2409 .06961 .0103 .0113 .0101 .0081 .0042 .0022 -.0007
	O4 .8779 .3001 .11779 .0093 .0114 .0079 .0115 .0021 .0041 .0027
	Ow .9334 .1509 -.2958 .0111 .0090 .0133 .0100 .0027 .0015 .0013
	H1 .063 .251 -.335 .031
	H2 .832 .082 -.406 .037
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	K2Zn(Cr2O7)2*2H2O
	Fleck M, Kolitsch U
	Zeitschrift fur Kristallographie 218 (2003) 553-567
	Natural and synthetic compounds with krohnkite-type chains. An update
	_database_code_amcsd 0011104
	6.794 7.735 7.834 88.97 80.90 64.57 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)
	K .29183 .26678 .82451 .0331 .0343 .0388 .0304 -.0189 -.0088 .0087
	Zn 0 0 .5 .01949 .0210 .0145 .0203 -.0059 -.00128 -.00032
	Cr1 .72472 .50340 .66692 .02046 .0202 .0147 .0244 -.0059 -.0026 -.00087
	Cr2 .26030 .79417 .84482 .02087 .0198 .0205 .0201 -.0066 -.00329 .00122
	O1 .8464 .5387 .8131 .0366 .0347 .0416 .0349 -.0156 -.0124 -.0003
	O2 .1546 .7153 .4114 .0411 .0361 .0200 .0598 -.0096 .0073 -.0141
	O3 .7131 .6544 .5190 .0349 .0456 .0307 .0288 -.0174 -.0048 .0080
	O4 .4473 .5559 .7641 .0282 .0246 .0199 .0372 -.0090 .0013 -.0022
	O5 .0394 .7823 .9382 .0379 .0302 .0346 .0416 -.0117 .0069 .0042
	O6 .3707 .8671 .9762 .0377 .0363 .0355 .0353 -.0065 -.0154 -.0073
	O7 .2081 .9404 .6860 .0279 .0300 .0294 .0243 -.0120 -.0080 .0055
	Ow .2467 .0393 .3331 .0263 .0290 .0295 .0230 -.0157 -.0028 .0024
	H1 .258 .134 .382 .045
	H2 .169 .090 .256 .076
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	Parakeldyshite
	Pekov I V, Zubkova N V, Pushcharovsky D Y, Kolitsch U, Tillmanns E
	Crystallography Reports 52 (2007) 1066-1071
	Refined crystal structure of parakeldyshite and genetic crystal
	chemistry of zirconium minerals with [Si2O7] diorthogroups
	Locality: Alluaiv Mountain (Lovozero), Kola Peninsula, Russia
	_database_code_amcsd 0018674
	6.617 8.813 5.426 87.26 85.68 71.75 P-1
	atom x y z occ Uiso
	Na1 .8769 .09573 -.25739 .819 .0209
	H1 .8769 .09573 -.25739 .066 .0209
	Na1' .827 .0624 -.2682 .085 .0209
	Na1" .759 .004 -.274 .030 .0209
	Na2 .34251 .50132 .23243 .01722
	Zr .289623 .270621 -.221466 .00530
	Si1 .64397 .14776 .22433 .00560
	Si2 .93730 .33444 .31565 .00551
	O1 .29140 .03947 -.16584 .01355
	O2 .87893 .16677 .27825 .01047
	O3 .49007 .20905 .46593 .01444
	O4 .56307 .25335 -.02375 .00894
	O5 .00766 .31950 .59858 .00951
	O6 .12482 .33736 .11279 .01042
	O7 .27715 .51311 -.28980 .00902
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	Elpidite
	Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
	Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V
	Crystallography Reports 56 (2011) 832-841
	Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
	and its K- and Rb-exchanged forms
	Locality: Kahn Bogdo, Mongolia
	_database_code_amcsd 0018522
	7.1312 14.6853 14.6349 90 90 90 Pbcm
	atom x y z occ Uiso
	Na(1) .4449 .23175 .75 .0477
	Na(2) -.00275 .25 .5 .0151
	Zr .49658 .25 .5 .00804
	Si(1) .77343 .38628 .64604 .01028
	Si(2) .50598 .04735 .64184 .01005
	Si(3) .21944 .39130 .64439 .01016
	O(1) .99571 .40384 .63913 .0179
	O(2) .7195 .35610 .75 .0183
	O(3) .7095 .30908 .57729 .0178
	O(4) .6779 .48448 .62422 .0195
	O(5) .5210 .07108 .75 .0192
	O(6) .49255 .14009 .58783 .0177
	O(7) .3072 .48949 .61315 .0167
	O(8) .2826 .37415 .75 .0177
	O(9) .2893 .30986 .58199 .0174
	Wat(1) .0080 .11320 .58101 .0344
	Wat(2) .1213 .1883 .75 .0650
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	Elpidite
	Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
	Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V
	Crystallography Reports 56 (2011) 832-841
	Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
	and its K- and Rb-exchanged forms
	Locality: Kahn Bogdo, Mongolia
	Note: Rb-exchanged at 90 deg C
	_database_code_amcsd 0018523
	7.1280 14.644 14.642 90 90 90 Pbcm
	atom x y z occ Uiso
	Na(1) .4421 .2315 .75 .661 .0343
	Na(2) -.0029 .25 .5 .920 .0250
	Rb -.004 .1410 .5789 .10 .037
	Zr .49697 .25 .5 .00939
	Si(1) .77407 .38617 .64615 .0132
	Si(2) .50553 .04747 .64216 .0124
	Si(3) .21932 .39087 .64457 .0128
	O(1) .9961 .4040 .6383 .0242
	O(2) .7207 .3560 .75 .0226
	O(3) .7092 .3091 .5775 .0221
	O(4) .6782 .4846 .6250 .0232
	O(5) .5181 .0727 .75 .0219
	O(6) .4929 .1395 .5872 .0237
	O(7) .3086 .4892 .6148 .0221
	O(8) .2808 .3723 .75 .0225
	O(9) .2897 .3097 .5816 .0218
	Wat(1) .0088 .1145 .5805 .91 .0257
	Wat(2) .1251 .1869 .75 .67 .047
	Wat(3) .014 .176 .797 .10 .040
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	Elpidite-Rb
	Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y,
	Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V
	Crystallography Reports 56 (2011) 832-841
	Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
	and its K- and Rb-exchanged forms
	Locality: Kahn Bogdo, Mongolia
	Note: Rb-exchanged at 150 deg C
	_database_code_amcsd 0018524
	14.2999 14.4408 14.7690 90 90 90 Cmca
	atom x y z occ Uiso
	Rb(1) .5 .2509 .5093 .079 .035
	Rb(2) .5 .13663 .58254 .75 .0340
	Rb(3) .0 .3638 .07055 .61 .0377
	Rb(4) .0 .386 .0733 .22 .073
	Rb(5) .5 .1391 .597 .11 .099
	Na .25 .236 .75 .06 .067
	Zr .25 .25 .5 .01018
	Si(1) .39070 .10779 .36275 .01381
	Si(2) .38954 .38148 .65364 .01386
	Si(3) .24382 .04903 .64483 .01324
	O(1) .1522 .1960 .40971 .0254
	O(2) .1521 .01643 .3665 .0249
	O(3) .25 .0803 .75 .0270
	O(4) .2332 .13556 .58132 .0253
	O(5) .0 .1084 .3670 .0296
	O(6) .3371 -.0103 .6221 .0249
	O(7) .3751 .3566 .75949 .0280
	O(8) .3624 .1858 .43343 .0223
	O(9) .5 .0790 .3775 .0244
	Wat(1) .0648 .3294 .2436 .404 .043
	Wat(2) .0 .190 .733 .10 .041
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	Dussertite
	Kolitsch U, Slade P G, Tiekink E R T, Pring A
	Mineralogical Magazine 63 (1999) 17-26
	The structure of antimonian dussertite
	and the role of antimony in oxysalt minerals
	Locality: Clara mine, Black Forest, Germany
	_database_code_amcsd 0014536
	7.410 7.410 17.4840 90 90 120 R-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)
	Ba 0 0 0 .0155 .0148 .0148 .0171 .0074 0 0
	Fe .5 0 .5 .84 .0136 .0124 .0094 .0184 .0047 .0003 .0006
	Sb .5 0 .5 .16 .0136 .0124 .0094 .0184 .0047 .0003 .0006
	As 0 0 .31047 .0127 .0101 .0101 .0179 .0051 0 0
	O1 0 0 .5929 .5 .018
	OH1 0 0 .5929 .5 .018
	O2 .2099 .7901 -.0554 .0145
	OH3 .1260 .8740 .1366 .0131
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	Faustite
	Kolitsch U, Giester G
	Mineralogical Magazine 64 (2000) 905-913
	The crystal structure of faustite and its copper analogue turquoise
	Locality: Iron Monarch iron ore deposit, South Australia
	_database_code_amcsd 0014544
	7.419 7.629 9.905 69.17 69.88 64.98 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)
	Zn 0 0 0 .927 .0301 .0271 .0217 .0263 -.0069 .0128 -.0087
	Al1 .2835 .1804 .74960 .0127 .0145 .0107 .0134 -.0043 -.0038 -.0031
	Al2 .7478 .1861 .27319 .0123 .0151 .0108 .0116 -.0044 -.0039 -.0024
	Al3 .2431 .5022 .24472 .0083 .0079 .0072 .0097 -.0016 -.0020 -.0031
	P1 .35248 .38778 .94179 .0121 .0130 .0117 .0125 -.0040 -.0032 -.0040
	P2 .84463 .38499 .45620 .0119 .0127 .0112 .0124 -.0037 -.0037 -.0034
	O1 .0697 .3606 .3841 .0147 .0143 .0126 .0153 -.0039 -.0032 -.0024
	O2 .8067 .3433 .6245 .0142 .0179 .0132 .0127 -.0061 -.0035 -.0036
	O3 .2799 .3545 .1113 .0151 .0182 .0146 .0138 -.0079 -.0008 -.0050
	O4 .0667 .0611 .1897 .0208 .020 .020 .022 -.0053 -.0066 -.0044
	O5 .2379 .0722 .6281 .0145 .018 .0122 .014 -.0031 -.0082 -.0030
	O6 .7325 .0794 .1266 .0140 .015 .013 .014 -.0032 -.0056 -.0023
	O7 .2957 .4056 .6052 .0148 .0161 .0100 .0182 -.0042 -.0041 -.0037
	O8 .3261 .2269 .9022 .0149 .0193 .0131 .0159 -.0071 -.0076 -.0021
	O9 .9882 .2880 .8390 .0146 .017 .0152 .014 -.0047 -.0025 -.0084
	O10 .5758 .0513 .6830 .0167 .018 .013 .018 -.0074 -.0023 -.0016
	O11 .7823 .4059 .1313 .0152 .0143 .0123 .0171 -.0033 -.0051 -.0016
	O12 .4632 .2949 .3269 .0146 .015 .015 .013 -.0034 -.0024 -.0062
	O13 .7924 .2274 .4283 .0128 .0178 .0124 .0095 -.0067 -.0032 -.0021
	O14 .5786 .3666 .8964 .0145 .0112 .0149 .0174 -.0043 -.0036 -.0039
	H1 .133 -.055 .238 .08
	H2 .148 .111 .184 .13
	H3 .653 .111 .608 .05
	H4 .607 -.067 .689 .06
	H5 .185 .128 .580 .02
	H6 .671 .135 .091 .01
	H7 .984 .339 .895 .017
	H8 .444 .315 .390 .02
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	Turquoise
	Kolitsch U, Giester G
	Mineralogical Magazine 64 (2000) 905-913
	The crystal structure of faustite and its copper analogue turquoise
	Locality: Iron Monarch iron ore deposit, South Australia
	_database_code_amcsd 0014545
	7.410 7.633 9.904 68.42 69.65 65.05 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)
	Cu 0 0 0 .874 .00875 .0074 .00798 .0066 -.00159 .00203 -.00188
	Al1 .28321 .17672 .75262 .00739 .0102 .0059 .0073 -.0036 -.0030 -.0011
	Al2 .75315 .18560 .27287 .00683 .0081 .0061 .0071 -.0029 -.0024 -.0016
	Al3 .24489 .50221 .24459 .00571 .0061 .0059 .0053 -.0023 -.0006 -.0020
	P1 .35046 .38634 .94324 .00608 .0066 .0066 .0058 -.00288 -.00136 -.00183
	P2 .84272 .38707 .45631 .00540 .0059 .0057 .0053 -.00262 -.00111 -.00167
	O1 .0680 .3629 .38468 .0089 .0071 .0103 .0086 -.0037 -.0002 -.0022
	O2 .8045 .34485 .62581 .0078 .0094 .0084 .0057 -.0029 -.0008 -.0033
	O3 .2767 .3558 .11311 .0084 .0113 .0095 .0050 -.0047 -.0002 -.0030
	O4 .0632 .0661 .19825 .0130 .0130 .0120 .0146 -.0060 -.0057 .0003
	O5 .2377 .0732 .62792 .0081 .0119 .0068 .0069 -.0033 -.0054 .0000
	O6 .7355 .0828 .12361 .0075 .0087 .0069 .0069 -.0020 -.0041 -.0005
	O7 .2962 .40354 .60706 .0089 .0094 .0064 .0089 -.0019 -.0022 -.0009
	O8 .3253 .2230 .90554 .0101 .0142 .0083 .0109 -.0044 -.0054 -.0027
	O9 .9863 .2807 .84408 .0088 .0085 .0104 .0092 -.0035 -.0001 -.0059
	O10 .5741 .0494 .68631 .0113 .0096 .0092 .0129 -.0039 -.0006 -.0017
	O11 .7848 .4090 .13125 .0093 .0091 .0075 .0099 -.0024 -.0024 -.0008
	O12 .4649 .2940 .32633 .0080 .0078 .0092 .0056 -.0013 -.0014 -.0025
	O13 .7883 .22916 .43134 .0080 .0123 .0078 .0079 -.0051 -.0038 -.0025
	O14 .5771 .3662 .89794 .0082 .0065 .0091 .0078 -.0030 -.0016 -.0005
	H1 .128 -.028 .224 .032
	H2 .116 .132 .176 .040
	H3 .628 .117 .609 .040
	H4 .608 -.057 .679 .035
	H5 .204 .129 .573 .023
	H6 .691 .143 .074 .018
	H7 .987 .318 .889 .029
	H8 .448 .287 .397 .021
	Cu .5 0 .5 .03 .02
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	Ulrichite
	Kolitsch U, Giester G
	Mineralogical Magazine 65 (2001) 717-724
	Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)
	Locality: Lake Boga, near Swan Hill, Victoria, Australia
	_database_code_amcsd 0014560
	12.784 6.996 13.007 90 91.92 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)
	Ca .1659 -.0204 .7589 .0159 .0131 .0035 .031 .0001 -.0020 -.0007
	Cu1 0 .5 .5 .0193 .0238 .0164 .0177 .0011 -.0011 -.0003
	Cu2 .5 .5 0 .0248 .0276 .0201 .0269 .0019 .0062 .0008
	U .31584 -.52226 .74637 .0152 .0137 .0118 .0202 .00012 .0001 -.00005
	P1 .0761 -.5135 .7481 .0168 .0097 .0129 .028 -.0019 -.0041 -.0011
	P2 .5948 -.5121 .7735 .0190 .0090 .0132 .035 .0014 .0023 .0005
	O1 .1532 -.3469 .7475 .019
	O2 .8516 -.1885 .7464 .017
	O3 .0011 -.5124 .6531 .017
	O4 .0028 .4925 .8395 .016
	O5 .6571 -.694 .7607 .027
	O6 .4887 -.5259 .7185 .027
	O7 .6596 -.3531 .7260 .025
	O8 .5859 -.467 .8889 .035
	Wat9 .0374 -.7651 .5003 .026
	Wat10 .1903 -.107 .9463 .044
	Wat11 .4938 -.785 .9826 .046
	O12 .3260 -.5106 .8851 .012
	Wat13 .2033 -.010 .5718 .035
	O14 .3076 -.5450 .6053 .017
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	Barysilite
	Kolitsch U, Holtstam D
	Mineralogical Magazine 66 (2002) 353-363
	Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement
	Locality: Garpenberg Nora mine, Dalarna, Sweden
	_database_code_amcsd 0014563
	9.804 9.804 38.416 90 90 120 R-3c
	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 .25627 .23661 .039503 .00562 .00412 .00347 .00719 .00033 -.00097 -.00086
	Pb2 0 0 .162640 .909 .00605 .00610 .00610 .0059 .00305 0 0
	Ca 0 0 .162640 .091 .00605 .00610 .00610 .0059 .00305 0 0
	Mn 0 0 .25 .0027 .0020 .0020 .0040 .0010 0 0
	Si .59781 .60219 .04882 .0010
	O1 .6129 0 .25 .0034
	O2 .6230 .7148 .01576 .0100
	O3 .7069 .5215 .04550 .0040
	O4 .4142 .4768 .05626 .0085
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	Kidwellite
	Kolitsch U
	Mineralogical Magazine 68 (2004) 147-165
	The crystal structures of kidwellite and 'laubmannite', two complex fibrous
	iron phosphates
	Locality: Clara mine, Black Forest, Germany
	_database_code_amcsd 0014570
	20.117 5.185 13.978 90 107.07 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)
	Na 0 .1807 .75 .0496 .033 .088 .029 0 .012 0
	Fe1 -.31930 -.2542 .19789 .0080 .0079 .0075 .0094 -.0004 .0037 .0000
	Fe2 -.17514 -.2401 .18336 .0088 .0087 .0094 .0091 .0010 .0039 .0012
	Fe3 -.43127 -.0041 .96833 .0151 .0151 .0154 .0150 .0016 .0050 -.0006
	Fe4 -.19236 -.0145 .92828 .0131 .0125 .0140 .0136 .0007 .0048 -.0008
	Fe5 0 0 0 .0145 .0124 .0155 .0153 -.0010 .0035 -.0018
	P1 -.27367 .2432 .07103 .857 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001
	As1 -.27367 .2432 .07103 .143 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001
	P2 -.10006 -.7385 .29965 .936 .0095 .0096 .0094 .0097 .0005 .0033 .0010
	As2 -.10006 -.7385 .29965 .064 .0095 .0096 .0094 .0097 .0005 .0033 .0010
	P3 -.35088 -.2392 .81893 .969 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012
	As3 -.35088 -.2392 .81893 .031 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012
	CuM1 0 .5 0 .074 .018
	CuM2 -.4316 .509 .9672 .067 .020
	CuM3 -.1943 .515 .9266 .074 .016
	O1 -.3506 .2407 .0091 .0150 .014 .014 .016 -.001 .005 .001
	O2 -.2218 .2528 .0089 .0116 .011 .011 .014 .003 .005 .000
	O3 -.2589 -.0084 .1372 .0114 .010 .010 .015 .004 .006 .007
	O4 -.2575 -.5138 .1425 .0107 .007 .011 .015 .003 .004 .000
	O5 -.1000 -.4805 .2456 .0178 .011 .022 .022 .004 .008 .011
	O6 .0290 .2277 .1213 .0228 .014 .033 .020 -.001 .002 -.012
	O7 -.1591 -.2668 .8489 .0129 .011 .014 .014 .001 .005 -.005
	O8 -.1104 .0381 .2227 .0223 .020 .023 .029 -.007 .014 -.011
	O9 -.2813 -.1897 .8954 .0226 .011 .029 .025 -.008 .000 -.002
	O10 -.3550 -.4954 .2708 .0204 .019 .016 .030 .002 .014 .008
	O11 -.4098 -.2232 .8678 .0142 .013 .021 .011 .002 .007 -.004
	O12 -.3642 .0368 .2340 .0179 .018 .014 .021 .002 .007 -.009
	OH13 -.3916 -.2733 .0697 .0111 .010 .014 .006 -.001 -.002 .001
	OH14 -.1624 -.2658 .0485 .0112 .011 .012 .010 .000 .003 .002
	OH15 -.2189 -.2410 .3053 .0107 .016 .010 .006 .001 .003 .000
	OH16 -.4729 .1709 .0667 .0218 .017 .028 .026 -.001 .014 .002
	Wat17 -.4767 .2842 .8614 .0250 .024 .026 .022 .000 .001 .010
	OH18 -.0955 .1400 .9762 .0210 .014 .017 .030 .003 .004 .001
	OH19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009
	Wat19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009
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	Kapellasite
	Krause W, Bernhardt H J, Braithwaite R S W, Kolitsch U, Pritchard R
	Mineralogical Magazine 70 (2006) 329-340
	Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its
	crystal structure
	Locality: Lavrion, Greece
	_database_code_amcsd 0014577
	6.300 6.300 5.733 90 90 120 P-3m1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu .5 0 .5 .0165 .0130 .0153 .0221 .0076 .00060 .0012
	Zn 0 0 .5 .0176 .0134 .0134 .0259 .0067 0 0
	Cl1 1/3 2/3 .1373 .0251 .0276 .0276 .0200 .0138 0 0
	Cl2 .3544 .1772 .3454 .03 .0161 .0179 .0155 .0158 .0090 -.0012 .0006
	OH2 .3544 .1772 .3454 .97 .0161 .0179 .0155 .0158 .0090 -.0012 .0006
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	Plimerite
	Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
	Mineralogical Magazine 73 (2009) 131-148
	Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
	Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
	Locality: Broken Hill, New South Wales, Australia
	_database_code_amcsd 0014590
	13.865 16.798 5.151 90 90 90 Bbmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004
	ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005
	FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005
	FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007
	AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007
	P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004
	P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0
	O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0
	O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050
	OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0
	O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042
	OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025
	OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034
	O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043
	O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020
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	Plimerite
	Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
	Mineralogical Magazine 73 (2009) 131-148
	Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
	Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
	Locality: Broken Hill, New South Wales, Australia
	_database_code_amcsd 0014590
	13.865 16.798 5.151 90 90 90 Bbmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004
	ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005
	FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005
	FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007
	AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007
	P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004
	P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0
	O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0
	O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050
	OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0
	O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042
	OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025
	OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034
	O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043
	O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020
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	Nyholmite
	Elliott P, Turner P, Jensen P, Kolitsch U, Pring A
	Mineralogical Magazine 73 (2009) 723-735
	Description and crystal structure of nyholmite, a new mineral related to hureaulite,
	from Broken Hill,New South Wales, Australia
	Locality: Broken Hill, New South Wales, Australia
	_database_code_amcsd 0014593
	18.062 9.341 9.844 90 96.17 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)
	CdM1 0 -.10841 .25 .73 .0156 .0164 .0107 .0194 0 .0006 0
	ZnM1 0 -.10841 .25 .27 .0156 .0164 .0107 .0194 0 .0006 0
	ZnM2 .31675 .08527 .68608 .31 .0182 .0215 .0109 .0219 -.0004 .0008 .0034
	CuM2 .31675 .08527 .68608 .22 .0182 .0215 .0109 .0219 -.0004 .0008 .0034
	CdM2 .31675 .08527 .68608 .19 .0182 .0215 .0109 .0219 -.0004 .0008 .0034
	MnM2 .31675 .08527 .68608 .26 .0182 .0215 .0109 .0219 -.0004 .0008 .0034
	AlM2 .31675 .08527 .68608 .02 .0182 .0215 .0109 .0219 -.0004 .0008 .0034
	CdM3 .17497 .02916 .36559 .89 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237
	ZnM3 .17497 .02916 .36559 .08 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237
	CaM3 .17497 .02916 .36559 .01 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237
	PbM3 .17497 .02916 .36559 .02 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237
	AsT1 .08304 .18435 .08981 .66 .0130 .0146 .0094 .0148 .0015 .0006 -.0009
	PT1 .08304 .18435 .08981 .34 .0130 .0146 .0094 .0148 .0015 .0006 -.0009
	AsT2 .16130 .26692 .62387 .83 .0133 .0149 .0070 .0172 .00044 -.0012 -.00037
	PT2 .16130 .26692 .62387 .17 .0133 .0149 .0070 .0172 .00044 -.0012 -.00037
	O1 .1589 .2739 .1356 .0257 .024 .026 .027 -.0044 .0006 -.0025
	OH2 .0109 .2964 .0791 .0310 .035 .029 .028 .0080 -.0015 -.0086
	O3 .0755 .0663 .2090 .0270 .025 .022 .034 -.0036 .0009 .0081
	O4 .0840 .1111 -.0615 .0260 .024 .029 .024 .0102 .0019 -.0045
	O5 .1656 .2490 .4541 .0232 .029 .0184 .021 .0014 -.0023 -.0039
	O6 .0725 .2749 .6557 .0241 .0205 .0174 .033 .0000 -.0007 -.0020
	O7 .2054 .4160 .6779 .0216 .0193 .0159 .031 -.0019 .0084 -.0025
	O8 .2048 .1281 .7023 .0247 .024 .0143 .036 .0017 .0051 .0076
	Wat9 .4176 -.0033 .6613 .0364 .033 .031 .045 -.008 .003 .015
	Wat10 .2604 -.0841 .5323 .0240 .026 .0220 .025 .0021 .0077 .0046
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	Mckinstryite
	Kolitsch U
	Mineralogical Magazine 74 (2010) 73-84
	The crystal structure and compositional range of mckinstryite
	Locality: Clara Mine, Black Forest, Germany
	_database_code_amcsd 0014598
	14.047 7.805 15.691 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)
	Ag(1) .09176 .54813 .09008 .04316 .0593 .0242 .0459 -.00311 .0053 .00332
	Ag(2) .14746 .04547 .28118 .04047 .0496 .0247 .0471 -.00009 .0079 -.00727
	Ag(3) .14968 .04447 .47155 .925 .03882 .0426 .0256 .0482 .00121 -.0078 .00663
	Cu(7) .14968 .04447 .47155 .075 .03882 .0426 .0256 .0482 .00121 -.0078 .00663
	Ag(4) .36551 .05378 .38286 .05449 .0630 .0245 .0759 .0065 .0093 -.0017
	Ag(5) .40752 .03828 .17491 .04716 .0453 .0288 .0674 .00221 .0084 -.0119
	Cu(1) .20523 .25 .62233 .02783 .0179 .0327 .0329 0 -.0017 0
	Cu(2) .21109 .25 .13139 .0289 .0220 .0327 .0321 0 .0023 0
	Cu(3) .25446 .25 .87318 .0311 .0439 .0277 .0216 0 .0007 0
	Cu(4) .46383 .25 .00358 .0304 .0208 .0353 .0350 0 -.0011 0
	Cu(5) .46884 .25 .74449 .02609 .0203 .0269 .0310 0 -.0017 0
	Cu(6) .55523 .25 .50127 .0330 .0428 .0331 .0230 0 .0056 0
	S(1) .04573 .25 .62453 .0206 .0159 .0265 .0193 0 -.0001 0
	S(2) .30802 .25 .73871 .0199 .0155 .0262 .0179 0 -.0016 0
	S(3) .30710 .25 .50522 .0286 .0215 .0431 .0212 0 .0019 0
	S(4) .04782 .25 .13756 .0223 .0176 .0267 .0226 0 .0004 0
	S(5) .30319 .25 .00898 .0218 .0144 .0318 .0191 0 .0013 0
	S(6) .30764 .25 .25144 .0269 .0212 .0342 .0254 0 -.0007 0
	S(7) .58011 .25 .63763 .0219 .0176 .0231 .0250 0 .0038 0
	S(8) .05990 .25 .37751 .0261 .0241 .0292 .0251 0 .0045 0
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	Arisite-(La)
	Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
	Rowe R, Gault R A, Poirier G
	Mineralogical Magazine 74 (2010) 257-268
	Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
	with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
	Locality: Aris, Namibia
	Note: x-coordinate of O1 adjusted to special position
	_database_code_amcsd 0014599
	5.1131 5.1131 8.6759 90 90 120 P-6m2
	atom x y z occ Uiso
	Na 0 0 0 .014
	La 2/3 1/3 .72574 .45 .011
	Ce 2/3 1/3 .72574 .42 .011
	Nd 2/3 1/3 .72574 .04 .011
	Pr 2/3 1/3 .72574 .01 .011
	Sm 2/3 1/3 .72574 .01 .011
	Ca 2/3 1/3 .72574 .07 .011
	C1 1/3 2/3 .804 .012
	O1 .628 .814 .8013 .019
	F 2/3 1/3 0 .032
	C2 0 0 .5 .63 .044
	O2 .847 .153 .5 .63 .025
	F2 .847 .153 .5 .24 .025
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	Arisite-(Ce)
	Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
	Rowe R, Gault R A, Poirier G
	Mineralogical Magazine 74 (2010) 257-268
	Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
	with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
	Locality: Aris, Namibia
	Note: x-coordinate of O1 adjusted to special position
	_database_code_amcsd 0014600
	5.1109 5.1109 8.6713 90 90 120 P-6m2
	atom x y z occ Uiso
	Na 0 0 0 .013
	Ce 2/3 1/3 .72542 .47 .012
	La 2/3 1/3 .72542 .40 .012
	Pr 2/3 1/3 .72542 .02 .012
	Nd 2/3 1/3 .72542 .05 .012
	Sm 2/3 1/3 .72542 .01 .012
	Ca 2/3 1/3 .72542 .05 .012
	C1 1/3 2/3 .805 .013
	O1 .6252 .8126 .8013 .017
	F 2/3 1/3 0 .031
	C2 0 0 .5 .70 .033
	O2 .8475 .1525 .5 .70 .026
	F2 .8475 .1525 .5 .20 .026
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	Bendadaite
	Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V,
	Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L,
	Mockel S, Giester G, Pushcharovsky D Y
	Mineralogical Magazine 74 (2010) 469-486
	Bendadaite, a new iron arsenate mineral of the arthurite group
	Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil
	_database_code_amcsd 0015896
	10.200 9.718 5.5432 90 94.05 90 P2_1/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)
	Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171
	Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007
	Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007
	As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012
	P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012
	O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014
	O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010
	O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016
	O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004
	Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026
	Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015
	Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145
	H .586 .176 .999 .039
	H11 .208 .915 .262 .057
	H12 .128 .941 .456 .056
	H21 .118 .211 .226 .061
	H22 .992 .247 .181 .057
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	Fassinaite
	Bindi L, Nestola F, Kolitsch U, Guastoni A, Zorzi F
	Mineralogical Magazine 75 (2011) 2721-2732
	Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting
	thiosulphate and carbonate groups: description and crystal structure
	Note: Sample ID FAS-01
	Locality: Trentini mine, Mount Naro, Vicenza Province, Veneto, Italy
	_database_code_amcsd 0018571
	16.320 8.7616 4.5809 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 .13583 .48701 .5842 .0213 .0178 .0197 .0265 -.0010 -.0015 -.0009
	S1 .0031 .25 .069 .014 .015 .019 .008 0 -.009 0
	C .713 .25 .387 .019 .01 .02 .03 0 -.01 0
	O1 .062 .25 .828 .021 .004 .04 .02 0 .008 0
	O2 .2757 .623 .501 .021 .023 .028 .012 -.019 .012 -.011
	O3 .0139 .111 .251 .021 .020 .021 .023 .001 -.008 -.002
	O4 .187 .25 .388 .023 .03 .020 .02 0 -.01 0
	S2 .8850 .25 .929 .020 .013 .025 .020 0 -.003 0
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	Fassinaite
	Bindi L, Nestola F, Kolitsch U, Guastoni A, Zorzi F
	Mineralogical Magazine 75 (2011) 2721-2732
	Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting
	thiosulphate and carbonate groups: description and crystal structure
	Note: Sample ID FAS-02
	Locality: Erasmus adit, Schwarzleo District, Leogang, Salzburg, Austria
	_database_code_amcsd 0018572
	16.343 8.760 4.592 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 .13571 .48680 .5838 .0199 .0169 .0188 .0239 -.0011 -.0011 -.0004
	S1 .0026 .25 .0718 .0130 .010 .017 .012 0 -.004 0
	C .7125 .25 .375 .014 .010 .020 .012 0 -.005 0
	O1 .0598 .25 .826 .019 .012 .033 .011 0 .004 0
	O2 .2755 .6219 .501 .024 .022 .026 .023 -.006 .008 -.013
	O3 .0139 .1126 .248 .019 .016 .023 .017 -.002 -.005 .005
	O4 .1858 .25 .387 .022 .025 .024 .017 0 .014 0
	S2 .8853 .25 .9277 .0184 .011 .024 .020 0 -.002 0
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	Fassinaite
	Bindi L, Nestola F, Kolitsch U, Guastoni A, Zorzi F
	Mineralogical Magazine 75 (2011) 2721-2732
	Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting
	thiosulphate and carbonate groups: description and crystal structure
	Note: Sample ID FAS-03
	Locality: Friedrich-Christian mine, Schapbach, Black Forest,
	Baden-Wurttemberg, Germany
	_database_code_amcsd 0018573
	16.326 8.773 4.583 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 .13597 .48701 .58424 .0205 .0186 .0187 .0242 -.0011 -.0011 -.0007
	S1 .0030 .25 .0734 .0155 .013 .014 .019 0 -.001 0
	C .7115 .25 .373 .017 .013 .018 .020 0 .006 0
	O1 .0604 .25 .827 .021 .016 .027 .019 0 .007 0
	O2 .2758 .6203 .502 .027 .023 .027 .032 -.006 .009 -.012
	O3 .0138 .1110 .252 .019 .019 .015 .022 -.005 -.004 .002
	O4 .1872 .25 .394 .028 .037 .030 .018 0 .011 0
	S2 .8853 .25 .9276 .0197 .017 .021 .021 0 -.004 0
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