Bechererite
	Giester G, Rieck B
	American Mineralogist 81 (1996) 244-248
	Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from the
	Tonopah-Belmont mine, Arizonia
	Note: U(1,2) changed for Si, S, O1, OH1 to match symmetry constraints.
	_database_code_amcsd 0001776
	8.319 8.319 7.377 90 90 120 P-3
	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 .4199 .2853 -.0005 .823 .019 .014 .027 .009 -.002 0
	Cu1 .4199 .2853 -.0005 .167 .019 .014 .027 .009 -.002 0
	Zn2 0 0 .2447 .020 .020 .019 .010 0 0
	Si 1/3 2/3 .4039 .5 .035 .035 .033 .0175 0 0
	S 1/3 2/3 .4039 .5 .035 .035 .033 .0175 0 0
	H1 .35 .39 .48 .48
	H2 .23 .32 .26 .26
	H3 .45 .10 .24 .24
	O1 1/3 2/3 .186 .033 .033 .042 .0165 0 0
	O2 .328 .489 .478 .065 .029 .029 .034 -.003 -.001
	OH1 0 0 .5 .149 .149 .008 .0745 0 0
	Oh2 .189 .244 .164 .025 .030 .018 .012 -.004 -.007
	Oh3 .478 .104 .124 .021 .015 .022 .005 .005 .001
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	Bechererite
	Hoffmann C, Armbruster T, Giester G
	American Mineralogist 82 (1997) 1014-1018
	The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4]
	Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints.
	_database_code_amcsd 0001950
	8.319 8.319 7.377 90 90 120 P3
	atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn1 .1326 .4136 .9997 .0113 .0125 .0293 .0076 -.0007 -.0014
	Zn11 .8628 .5734 .0007 .0096 .0117 .0293 .0054 -.0017 -.0014
	Zn2 0 0 .2469 .0181 .0181 .020 .00905 0 0
	Zn21 0 0 .7571 .0133 .0133 .020 .00665 0 0
	S 1/3 2/3 .5902 .016 .016 .018 .008 0 0
	Si 2/3 1/3 .3926 .012 .012 .017 .006 0 0
	H4 .877 .248 .212 2.37
	H41 .050 .748 .729 2.37
	H5 .347 .500 .245 2.37
	H51 .630 .587 .764 2.37
	O1 1/3 2/3 .790 .027 .027 .013 .0135 0 0
	O11 2/3 1/3 .163 .020 .020 .028 .010 0 0
	O2 .1710 .6756 .5230 .028 .039 .020 .024 -.005 -.004
	O21 .8536 .334 .478 .035 .065 .035 .026 -.002 -.012
	O4 .9435 .1867 .168 .013 .026 .023 .008 -.003 -.009
	O41 .0523 .8045 .839 .017 .015 .026 .011 .004 .006
	O5 .3752 .4826 .126 .012 .018 .021 .008 .002 -.004
	O51 .6288 .5284 .873 .014 .015 .019 .010 .000 .003
	O3 .051 .060 .501 1.5
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, type sample, determined by the Vienna group
	refinement based on F2
	_database_code_amcsd 0001963
	5.0905 5.0905 23.102 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .013
	Ce 1/3 2/3 .35352 .009
	Na 1/3 2/3 3/4 .007
	Ca 1/3 2/3 3/4 .007
	F 1/3 2/3 .25 .031
	C1 0 0 .6775 .009
	C2 2/3 1/3 .4333 .008
	O1 .1448 .2896 .6764 .013
	O2 .5205 .0410 .4348 .017
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, determined by the Vienna group,
	refinement based on F2
	_database_code_amcsd 0001964
	5.1011 5.1011 23.096 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .016
	Ce 1/3 2/3 .35385 .012
	Na 1/3 2/3 3/4 .016
	F 1/3 2/3 .25 .038
	C1 0 0 .6780 .012
	C2 2/3 1/3 .4333 .014
	O1 .1448 .2896 .6763 .018
	O2 .5218 .0436 .4347 .022
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, determined by the Miami group,
	refinement based on F
	_database_code_amcsd 0001965
	5.09155 5.09155 23.070 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .024
	Ce 1/3 2/3 .35351 .0093
	Na 1/3 2/3 3/4 .020
	F 1/3 2/3 .25 .027
	C1 0 0 .6802 .012
	C2 2/3 1/3 .4326 .011
	O1 .1448 .2896 .6761 .014
	O2 .5210 .0420 .4350 .019
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Mont St. Hilaire, determined by the Vienna group,
	refinement based on F2
	_database_code_amcsd 0001966
	5.097 5.097 23.075 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .013
	Ce 1/3 2/3 .35339 .010
	Na 1/3 2/3 3/4 .011
	F 1/3 2/3 .25 .034
	C1 0 0 .6783 .007
	C2 2/3 1/3 .4337 .017
	O1 .1452 .2904 .6758 .012
	O2 .5197 .0394 .4346 .016
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Mont St. Hilaire, determined by the Miami group,
	refinement based on F
	_database_code_amcsd 0001967
	5.09335 5.09335 23.049 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .0114
	Ce 1/3 2/3 .35331 .0082
	Na 1/3 2/3 3/4 .016
	F 1/3 2/3 .25 .024
	C1 0 0 .6779 .012
	C2 2/3 1/3 .4340 .009
	O1 .1445 .2890 .6760 .016
	O2 .5217 .0434 .4352 .012
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Kola Pen., refinement based on F2
	_database_code_amcsd 0001968
	5.108 5.108 23.129 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .019
	Ce 1/3 2/3 .35452 .014
	Na 1/3 2/3 3/4 .022
	F 1/3 2/3 .25 .047
	C1 0 0 .6790 .016
	C2 2/3 1/3 .4335 .020
	O1 .1442 .2884 .6770 .020
	O2 .5214 .0428 .4351 .024
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Bayan Obo, refinement based on F2
	_database_code_amcsd 0001969
	5.109 5.109 23.289 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .031
	Ce 1/3 2/3 .35451 .021
	Na 1/3 2/3 3/4 .029
	F 1/3 2/3 .25 .066
	C1 0 0 .6778 .025
	C2 2/3 1/3 .4342 .030
	O1 .1441 .2882 .6762 .032
	O2 .5212 .0424 .4350 .043
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	Tschortnerite
	Effenberger H, Giester G, Krause W, Bernhardt H J
	American Mineralogist 83 (1998) 607-617
	Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel,
	Germany
	_database_code_amcsd 0002008
	31.62 31.62 31.62 90 90 90 Fm3m
	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 .09965 .09965 .09965 .0259 .0259 .0259 .0021 .0021 .0021
	Ca2 .20984 .20984 .20984 .0156 .0156 .0156 -.0011 -.0011 -.0011
	CaM .17945 .27909 0 .27 .0384 .0407 .0229 -.0110 0 0
	SrM .17945 .27909 0 .18 .0384 .0407 .0229 -.0110 0 0
	KM .17945 .27909 0 .12 .0384 .0407 .0229 -.0110 0 0
	BaM .17945 .27909 0 .05 .0384 .0407 .0229 -.0110 0 0
	Cu .07339 .07339 0 .0308 .0308 .0263 -.0013 0 0
	Si1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016
	Al1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016
	Si2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008
	Al2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008
	Ot1 .06740 .15559 .23003 .0174 .0212 .0188 -.0022 .0002 -.0026
	Ot2 .21169 .21169 .13239 .0200 .0200 .0123 -.0002 -.0001 -.0001
	Ot3 .21022 .21022 .40798 .0164 .0164 .0174 .0039 -.0014 -.0014
	Ot4 .14640 .14640 .26611 .0254 .0254 .0147 .0051 .0000 .0000
	Ot5 .14402 .14402 .05687 .0180 .0180 .0430 -.0012 -.0017 -.0017
	Ot6 .07720 .07720 .19159 .0190 .0190 .0385 .0064 -.0046 -.0046
	Ot7 .11259 .20286 0 .0310 .0366 .0105 -.0048 0 0
	OH1 .04506 .04506 .10539 .0256 .0256 .0308 .0022 -.0005 -.0005
	OH2 .28335 .28335 .28335 .0164 .0164 .0164 .0002 .0002 .0002
	ClX 0 0 0 .224 .011
	Wat1 .041 0 0 .181 .068
	Wat2 .0262 .0262 .0262 .243 .050
	WatD6 .1467 .1467 .1467 .123
	Wat8 .0159 .1842 0 .305 .111
	WatD8 .2087 .2339 0 .5 .047
	WatT1 .0085 .1316 .3048 .220 .132
	WatT2 .3599 .3599 .3599 .072
	WatT3 .0336 .0336 .2642 .195 .10
	WatT4 .0714 .0888 .3105 .189 .10
	WatT5 .0514 .1204 .3298 .400 .213
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	Nagyagite
	Effenberger H, Paar W H, Topa D, Culetto F J, Giester G
	American Mineralogist 84 (1999) 669-676
	Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)]
	_database_code_amcsd 0002222
	4.220 4.176 15.119 90 95.42 90 P2_1/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .16212 .25 .80260 .0351 .0325 .0371 0 .0026 0
	Sb2 .3578 .25 .40183 .524 .0443 .0274 .0326 0 .0087 0
	Pb2 .3578 .25 .40183 .476 .0443 .0274 .0326 0 .0087 0
	Te .7364 .25 -.00056 .867 .0518 .0357 .0286 0 .0050 0
	Au .7364 .25 -.00056 .133 .0518 .0357 .0286 0 .0050 0
	S1 .3484 .25 .2323 .025 .021 .037 0 .0080 0
	S2 .0744 .25 .6111 .035 .060 .026 0 .0077 0
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	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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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mg(SO4)2.4H2O, T = 100 K
	_database_code_amcsd 0002727
	11.778 9.469 9.851 90 95.26 90 P2_1/a
	atom x y z Uiso
	K1 .16666 .26914 .23925 .0085
	K2 .16772 -.25681 .25944 .0081
	Mg1 0 0 0 .0057
	Mg2 0 .5 .5 .0053
	S1 .20787 .50544 -.04393 .0050
	S2 .21302 -.00636 -.48126 .0048
	O1A -.1550 .3704 .1172 .0087
	O1B .1627 .3740 -.1116 .0094
	O2A .1495 .0919 -.3993 .0088
	O2B .1803 -.1532 -.4547 .0097
	O3 .1685 .0114 .0555 .0116
	O4 .1827 .5079 .0981 .0115
	O5 .1636 .5110 .4377 .0075
	O6 .1901 .0237 .3723 .0099
	Ow1A -.0353 .3398 .3598 .0079
	Ow1B .0451 .3424 -.3583 .0081
	Ow2 -.0053 .2190 -.0118 .0113
	Ow3 .0153 -.0103 -.2096 .0112
	H1A -.075 .276 .395 .022
	H2A -.077 .355 .282 .032
	H1B .076 .269 -.387 .020
	H2B .083 .359 -.281 .038
	H3A -.052 .270 .023 .030
	H3B .045 .270 -.036 .033
	H4 .068 .008 -.257 .021
	H5 -.042 -.012 -.265 .019
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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mg(SO4)2.4H2O, T = 170 K
	_database_code_amcsd 0002728
	11.780 9.486 19.730 90 95.23 90 *I2/a
	.25 .25 .5
	atom x y z Uiso
	K1 -.16787 .26888 -.12018 .0132
	K2 .16701 .25821 .12922 .0124
	Mg1 0 -.00112 0 .0080
	Mg2 0 .5 .25 .0073
	S1 .20754 .49638 -.02192 .0074
	S2 .21271 .00706 -.24073 .0072
	O1A -.1581 .3747 .05556 .0134
	O1B .1600 -.3706 -.05912 .0132
	O2A .1504 -.0923 -.20014 .0136
	O2B .1784 .1527 -.22726 .0150
	O3 .1688 -.0009 .02694 .0186
	O4 .1812 .4912 .04870 .0173
	O5 .1641 .4918 .21902 .0113
	O6 .1902 .0228 .18618 .0149
	Ow1A .0376 .3429 -.17806 .0113
	Ow1B .0430 -.3403 -.18099 .0112
	Ow2A 0 .2185 0 .0150
	Ow2B 0 -.2196 0 .0187
	Ow3 .0142 -.0017 -.10481 .0171
	H1A .077 .280 -.195 .020
	H2A .078 .360 -.139 .037
	H1B .074 -.272 -.195 .021
	H2B .083 -.356 -.142 .033
	H3A .049 .271 -.015 .036
	H3B .050 -.274 -.015 .044
	H4 .065 -.015 -.129 .035
	H5 -.041 .007 -.132 .026
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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mg(SO4)2.4H2O, T = 293 K
	_database_code_amcsd 0002729
	11.769 9.539 9.889 90 95.31 90 C2/m
	atom x y z occ Uiso
	K .16767 .26354 .24969 .0261
	Mg1 0 0 0 .0140
	Mg2 0 .5 .5 .0130
	S1 .20760 .5 -.04326 .0131
	S2 .21123 0 -.48090 .0130
	O1 .1591 .3736 -.1137 .0234
	O2A .1521 .0980 -.4009 .5 .0243
	O2B .1737 .1467 -.4516 .5 .0265
	O3 .1690 0 .0541 .0312
	O4 .1819 .5 .0974 .0316
	O5 .1652 .5 .4390 .0206
	O6 .1887 .0234 .3735 .5 .0254
	Ow1 .0400 .3428 -.3586 .0190
	Ow2 0 .2183 0 .0273
	Ow3 .0149 0 -.2088 .0291
	H1 .075 .277 -.388 .033
	H2 .079 .359 -.282 .041
	H3 .047 .271 -.027 .050
	H4 .068 0 -.256 .069
	H5 -.039 0 -.260 .036
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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mn(SO4)2.4H2O, T = 110 K
	_database_code_amcsd 0002730
	12.031 9.531 9.902 90 95.02 90 P2_1/a
	atom x y z Uiso
	K1 .16965 .26768 .23973 .0096
	K2 .16992 -.25782 .25852 .0093
	Mn1 0 0 0 .0059
	Mn2 0 .5 .5 .0057
	S1 .20732 .50477 -.04519 .0059
	S2 .21252 -.00747 -.48027 .0057
	O1A -.1534 .3724 .1163 .0103
	O1B .1633 .3739 -.1112 .0112
	O2A .1493 .0908 -.4002 .0102
	O2B .1791 -.1528 -.4545 .0110
	O3 .1725 .0127 .0611 .0149
	O4 .1853 .5062 .0973 .0125
	O5 .1674 .5089 .4342 .0090
	O6 .1931 .0227 .3741 .0108
	Ow1A -.0342 .3316 .3537 .0094
	Ow1B .0431 .3347 -.3516 .0096
	Ow2 -.0051 .2279 -.0131 .0145
	Ow3 .0111 -.0103 -.2198 .0133
	H1A -.070 .271 .387 .020
	H2A -.074 .351 .275 .029
	H1B .074 .265 -.380 .021
	H2B .081 .352 -.279 .032
	H3A -.049 .280 .025 .031
	H3B .043 .274 -.037 .034
	H4 .060 .008 -.267 .026
	H5 -.044 -.014 -.271 .023
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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mn(SO4)2.4H2O, T = 185 K
	_database_code_amcsd 0002731
	12.035 9.549 19.839 90 94.99 90 *I2/a
	.25 .25 .5
	atom x y z Uiso
	K1 -.16978 .26685 -.12080 .0157
	K2 .17013 .25936 .12839 .0152
	Mn1 0 -.00086 0 .0089
	Mn2 0 .5 .25 .0086
	S1 .20701 .49730 -.02242 .0088
	S2 .21207 .00710 -.24013 .0087
	O1A -.1579 -.3747 -.05551 .0167
	O1B .1591 -.3718 -.05816 .0166
	O2A .1505 -.0926 -.20093 .0211
	O2B .1769 .1514 -.22669 .0230
	O3 .1726 -.0008 .03002 .0240
	O4 .1841 .4934 .04827 .0207
	O5 .1676 .4943 .21728 .0133
	O6 .1931 .0199 .18716 .0203
	Ow1A .0370 .3347 -.17515 .0139
	Ow1B .0407 -.3330 -.17715 .0137
	Ow2A 0 .2271 0 .0195
	Ow2B 0 -.2276 0 .0251
	Ow3 .0098 -.0021 -.10993 .0208
	H1A .074 .277 -.192 .031
	H2A .076 .352 -.137 .030
	H1B .071 -.271 -.192 .030
	H2B .082 -.349 .138 .029
	H3A .043 .276 -.016 .040
	H3B .043 -.278 -.015 .041
	H4 .056 -.013 -.134 .035
	H5 -.046 .006 -.136 .042
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	Leonite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Mn(SO4)2.4H2O, T = 293 K
	_database_code_amcsd 0002732
	12.017 9.594 9.949 90 95.03 90 C2/m
	atom x y z occ Uiso
	K .17022 .26326 .24936 .0281
	Mn1 0 0 0 .0154
	Mn2 0 .5 .5 .0149
	S1 .20695 .5 -.04418 .0150
	S2 .21077 0 -.47979 .0150
	O1 .1588 .3743 -.1129 .0274
	O2A .1519 .0973 -.4013 .5 .0271
	O2B .1723 .1457 -.4520 .5 .0299
	O3 .1728 0 .0594 .0381
	O4 .1841 .5 .0965 .0355
	O5 .1686 .5 .4354 .0232
	O6 .1918 .0236 .3754 .5 .0289
	Ow1 .0387 .3351 -.3519 .0222
	Ow2 0 .2267 0 .0333
	Ow3 .0104 0 -.2194 .0329
	H1 .072 .276 -.379 .033
	H2 .079 .349 -.274 .037
	H3 .043 .272 -.030 .041
	H4 .061 0 -.257 .060
	H5 -.041 0 -.272 .058
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	Mereiterite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Fe(SO4)2.4H2O, T = 185 K
	_database_code_amcsd 0002733
	11.834 9.502 9.913 90 94.87 90 P2_1/a
	atom x y z Uiso
	K1 .16871 .26936 .23932 .0146
	K2 .16905 -.25715 .25871 .0139
	Fe1 0 0 0 .0084
	Fe2 0 .5 .5 .0078
	S1 .20725 .50503 -.04538 .0086
	S2 .21392 -.00657 -.48176 .0079
	O1A -.1511 .3725 .1152 .0158
	O1B .1611 .3738 -.1093 .0173
	O2A .1499 .0899 -.4000 .0150
	O2B .1819 -.1529 -.4566 .0168
	O3 .1716 .0127 .0671 .0217
	O4 .1885 .5075 .0977 .0191
	O5 .1637 .5111 .4366 .0126
	O6 .1934 .0244 .3737 .0163
	Ow1A -.0350 .3342 .3572 .0130
	Ow1B .0451 .3377 -.3552 .0134
	Ow2 -.0060 .2203 -.0141 .0195
	Ow3 .0139 -.0121 -.2141 .0191
	H1A -.070 .278 .391 .026
	H2A -.073 .352 .277 .035
	H1B .074 .269 -.383 .021
	H2B .083 .356 -.278 .036
	H3A -.047 .270 .021 .031
	H3B .043 .267 -.039 .034
	H4 .067 .007 -.263 .035
	H5 -.040 -.015 -.268 .032
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	Mereiterite
	Hertweck B, Giester G, Libowitzky E
	American Mineralogist 86 (2001) 1282-1292
	The crystal structures of the low-temperature phases of leonite-type compounds,
	K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
	Sample: K2Fe(SO4)2.4H2O, T = 293 K
	_database_code_amcsd 0002734
	11.837 9.547 9.939 90 94.88 90 C2/m
	atom x y z occ Uiso
	K .16890 .26351 .24913 .0270
	Fe1 0 0 0 .0143
	Fe2 0 .5 .5 .0130
	S1 .20733 .5 -.04466 .0143
	S2 .21291 0 -.48145 .0139
	O1 .1567 .3740 -.1119 .0272
	O2A .1526 .0950 -.4014 .5 .0254
	O2B .1765 .1481 -.4540 .5 .0290
	O3 .1716 0 .0656 .0365
	O4 .1880 .5 .0974 .0335
	O5 .1645 .5 .4373 .0218
	O6 .1929 .0240 .3742 .5 .0267
	Ow1 .0399 .3374 -.3554 .0211
	Ow2 0 .2204 0 .0317
	Ow3 .0129 0 -.2145 .0321
	H1 .072 .276 -.385 .039
	H2 .079 .354 -.279 .045
	H3 .044 .269 -.032 .046
	H4 .065 0 -.258 .061
	H5 -.043 0 -.268 .057
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	Lawsonite
	Sondergeld P, Schranz W, Troster A, Armbruster T, Giester G, Kityk A, Carpenter M A
	American Mineralogist 90 (2005) 448-456
	Ordering and elasticity associated with low-temperature phase transitions in lawsonite
	Sample at T = 215 K
	_database_code_amcsd 0003737
	5.8515 8.7768 13.1107 90 90 90 *Pmcn
	.25 .25 0
	atom x y z Uiso
	Ca 0 .33243 .25072 .00745
	Al .25 .25 0 .00413
	Ala .25 .25 .5 .00383
	Si 0 .98045 .13204 .00417
	Sia 0 .97888 .36585 .00416
	O1 0 .04971 .24903 .00699
	O2 .27482 .37460 .11933 .00705
	O2a .27177 .37994 .38419 .00608
	O3 0 .13736 .06351 .00562
	O3a 0 .13592 .43419 .00576
	O4 0 .64019 .05069 .00593
	O4a 0 .63476 .45762 .00739
	O5 0 .60880 .24857 .01533
	Hw 0 .6420 .1849 .037
	Hwa 0 .681 .2870 .046
	Hh 0 .5395 .0386 .047
	Hha 0 .5638 .4245 .104
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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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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Fe-100
	_database_code_amcsd 0005412
	5.177 5.176 7.608 107.57 107.57 93.65 P-1
	atom x y z Biso
	FeM1 0 0 0 .9
	FeM2 .5 .5 .5 .9
	S .596 .899 .248 .8
	O1 .724 .815 .097 1.9
	O2 .291 .827 .154 1.1
	O3 .668 .204 .345 2.0
	O4 .689 .765 .394 1.4
	Wat .103 .392 .255 1.4
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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Cu-48,Fe-52
	_database_code_amcsd 0005413
	5.120 5.160 7.535 107.06 107.40 92.73 P-1
	atom x y z occ Biso
	CuM1 0 0 0 .48 1.1
	FeM1 0 0 0 .52 1.1
	CuM2 .5 .5 .5 .48 1.1
	FeM2 .5 .5 .5 .52 1.1
	S .593 .918 .248 .7
	O1 .727 .830 .098 1.1
	O2 .287 .828 .154 1.3
	O3 .644 .222 .331 .9
	O4 .694 .797 .404 1.6
	Wat .114 .407 .265 1.0
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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Cu-100
	_database_code_amcsd 0005414
	5.034 5.167 7.573 108.64 108.41 90.88 P-1
	atom x y z Biso
	CuM1 0 0 0 .7
	CuM2 .5 .5 .5 .7
	S .608 .925 .243 .4
	O1 .752 .829 .095 1.3
	O2 .301 .836 .142 1.9
	O3 .663 .232 .322 1.5
	O4 .707 .808 .399 1.1
	Wat .125 .430 .284 1.6
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	Nabesite
	Petersen O V, Giester G, Brandstatter F, Niedermayr G
	The Canadian Mineralogist 40 (2002) 173-181
	Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline
	complex, South Greenland
	Sample: T = 293 K
	Locality: Ilimaussaq alkaline complex, South Greenland
	_database_code_amcsd 0005760
	9.748 10.133 11.954 90 90 90 P2_12_12_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na1 .02823 .19660 .81506 .02878 .0224 .0304 .0335 -.0083 -.0043 .0052
	Na2 .37372 .25369 .73922 .0447 .0554 .0330 .0456 .0029 -.0111 .0044
	Be .24232 .26224 .25678 .0084 .0104 .0078 .0070 .0003 -.0025 -.0009
	Si1 .08393 .35478 .06419 .00750 .00767 .00662 .00820 .00026 -.00143 .00092
	Si2 .39961 .36283 .44722 .00765 .00782 .00677 .00835 -.00044 -.00094 -.00128
	Si3 .29128 .14866 .03408 .00839 .00822 .00770 .00926 -.00077 .00010 .00122
	Si4 .20023 .14856 .47842 .00781 .00819 .00702 .00821 .00068 -.00033 -.00160
	O1 .11930 .34407 .19374 .01217 .0143 .0137 .0085 -.0007 -.0033 .0047
	O2 .12092 .49694 .01041 .01716 .0232 .0085 .0198 .0054 .0002 -.0008
	O3 -.07946 .32732 .04934 .01433 .0082 .0194 .0153 .0012 -.0033 .0002
	O4 .16731 .24433 -.00928 .01126 .0130 .0110 .0098 -.0017 -.0020 .0056
	O5 .34741 .36353 .32118 .01214 .0147 .0123 .0094 .0009 -.0039 -.0040
	O6 .56197 .32609 .44915 .01601 .0076 .0219 .0185 -.0028 -.0024 .0012
	O7 .31580 .25353 .52237 .01135 .0133 .0102 .0105 .0011 -.0013 -.0054
	O8 .32791 .17820 .16101 .01294 .0143 .0156 .0089 -.0030 -.0028 .0043
	O9 .24094 -.00340 .01423 .01378 .0161 .0064 .0189 -.0025 .0021 .0000
	O10 .17608 .15933 .34733 .01483 .0207 .0153 .0085 .0024 -.0033 -.0078
	OW1 .22056 .07549 .76168 .0277 .0474 .0182 .0176 -.0026 -.0078 .0091
	OW2 .16099 .37520 .73814 .0316 .0475 .0203 .0270 -.0036 -.0055 .0033
	OW3 -.05881 .02080 .94934 .0379 .0354 .0387 .0396 -.0047 -.0076 -.0034
	OW4 .47439 .44438 .80888 .0394 .0399 .0361 .0421 .0176 -.0003 .0086
	H1 .249 .009 .807 .066
	H2 .209 .049 .689 .067
	H3 .171 .442 .759 .045
	H4 .095 .383 .699 .059
	H5 -.077 .029 .0225 .047
	H6 .034 .011 .959 .102
	H7 .446 .527 .788 .074
	H8 .554 .404 .765 .075
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	Jankovicite
	Libowitzky E, Giester G, Tillmanns E
	European Journal of Mineralogy 7 (1995) 479-487
	The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22
	_database_code_amcsd 0006589
	7.393 8.711 17.58 103.81 91.81 109.51 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)
	Tl1 .3120 .2507 .3768 .0369 .0240 .0338 .0453 .0047 .0018 .0046
	Tl2 .7621 .3538 .8118 .0479 .0336 .0505 .0462 .0067 -.0055 .0008
	Tl3 .2085 .0696 .0266 .5 .0381 .0289 .0337 .044 .0051 .0011 .0046
	Sb1 .2986 .0734 .0177 .5 .0259 .017 .028 .025 .0020 -.0016 .0016
	Sb2 .7111 .2253 .1907 .0247 .0255 .0237 .0220 .0066 .0017 .0041
	Sb3 .5861 .2099 .5903 .0239 .0192 .0260 .0198 .0019 -.0015 .0028
	Sb4 .2379 .1789 .7954 .0273 .0269 .0232 .0259 .0043 -.0012 .0026
	Sb5 .8406 .2038 .4062 .0326 .0185 .0415 .0288 .0069 -.0003 -.0016
	As1 .7423 .4474 .0262 4/5 .0261 .0232 .0225 .027 .0035 -.0007 .0030
	Sb1 .7423 .4474 .0262 1/5 .0261 .0232 .0225 .027 .0035 -.0007 .0030
	As2 .1321 .3286 .6123 2/3 .0253 .0234 .0218 .0256 .0042 -.0010 .0028
	Sb2 .1321 .3286 .6123 1/3 .0253 .0234 .0218 .0256 .0042 -.0010 .0028
	S1 .9892 .1432 .6890 .0258 .019 .028 .023 .0003 -.003 .0043
	S2 .2753 .0380 .5113 .0234 .017 .024 .022 .0018 -.002 .0016
	S3 .9685 .1033 .2018 .0271 .021 .022 .034 .0039 .001 .0053
	S4 .9157 .3190 .0857 .0250 .023 .029 .021 .007 .002 .0053
	S5 .4459 .4257 .6738 .0241 .019 .023 .024 .0026 .001 .0010
	S6 .0738 .2732 .9087 .0282 .033 .023 .023 .005 .001 .0016
	S7 .5112 .5970 .9038 .0448 .031 .050 .053 .013 .013 .014
	S8 .5105 .0670 .9087 .0386 .035 .038 .024 -.008 -.004 .003
	S9 .5592 .0395 .3113 .0247 .022 .027 .017 .002 -.000 .0015
	S10 .9681 .4545 .3210 .0242 .022 .022 .022 .0035 -.001 .0007
	S11 .3007 .6122 .5072 .0241 .023 .025 .018 .0034 .003 .0013
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	Mereiterite
	Giester G, Rieck B
	European Journal of Mineralogy 7 (1995) 559-566
	Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from
	the Lavrion Mining District, Greece
	Locality: Lavrion Mining District, Greece
	_database_code_amcsd 0006597
	11.841 9.553 9.942 90 94.87 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)
	K .16894 .26347 .24911 .0291 .0295 .0223 .0355 -.0063 .0012 .0011
	Fe1 0 0 0 .0160 .0158 .0120 .0199 0 -.0002 0
	Fe2 0 1/2 1/2 .0147 .0158 .0110 .0174 0 .0020 0
	S1 .20735 1/2 -.04455 .0161 .0183 .0135 .0164 0 .0018 0
	S2 .21280 0 -.48143 .0156 .0167 .0132 .0169 0 .0012 0
	O1 .1568 .3739 -.1117 .0292 .0401 .0193 .0286 -.0047 .0044 -.0093
	O2a .1528 .0962 -.4015 .5 .0271 .0248 .0246 .0326 -.0058 .0065 .0082
	O2b .1759 .1476 -.4544 .5 .0307 .0372 .0169 .0381 -.0049 .0033 .0101
	O3 .1716 0 .0657 .0384 .0168 .0581 .0395 0 -.0018 0
	O4 .1882 1/2 .0972 .0356 .0614 .0277 .0191 0 .0124 0
	O5 .1645 1/2 .4373 .0242 .0166 .0313 .0248 0 .0025 0
	O6 .1929 .0242 .3744 .5 .0294 .0359 .0323 .0190 .0053 -.0039 -.0027
	OW1 .0399 .3373 -.3555 .0229 .0280 .0166 .0238 .0023 .0005 .0051
	Ow2 0 .2204 0 .0341 .0357 .0138 .0558 0 .0213 0
	OW3 .0133 0 -.2144 .0347 .0287 .0534 .0229 0 .0069 0
	H1 .072 .276 -.387 .0540
	H2 .078 .350 -.278 .0540
	H3 .046 .266 -.028 .0423
	H4 .069 0 -.256 .0612
	H5 -.034 0 -.265 .0612
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	Erythrite
	Wildner M, Giester G, Lengauer C L, McCammon C A
	European Journal of Mineralogy 8 (1996) 187-192
	Structure and crystal chemistry of vivianite-type compounds: Crystal
	structures of erythrite and annabergite with a Mossbauer study of erythrite
	_database_code_amcsd 0006617
	10.251 13.447 4.764 90 104.98 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)
	CoMe1 0 0 0 .0112 .0170 .0080 0 -.0005 0
	CoMe2 0 .38512 0 .505 .0136 .0156 .0099 0 .0010 0
	FeMe2 0 .38512 0 .37 .0136 .0156 .0099 0 .0010 0
	NiMe2 0 .38512 0 .125 .0136 .0156 .0099 0 .0010 0
	As .31621 0 .37235 .0100 .0146 .0071 0 -.0002 0
	O1 .1493 0 .3748 .0097 .0227 .0094 0 .0005 0
	O2 .4057 0 .7226 .0166 .0176 .0058 0 -.0025 0
	O3 .3433 .1067 .2087 .0157 .0151 .0140 -.0005 .0035 .0027
	OW1 .0978 .1137 .8067 .0156 .0227 .0139 -.0019 .0010 -.0011
	OW2 .3995 .2273 .7133 .0279 .0221 .0169 .0021 .0037 .0020
	H11 .119 .091 .657 .0156
	H12 .163 .127 .902 .0306
	H21 .368 .208 .536 .0464
	H22 .448 .282 .714 .0416
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	Annabergite
	Wildner M, Giester G, Lengauer C L, McCammon C A
	European Journal of Mineralogy 8 (1996) 187-192
	Structure and crystal chemistry of vivianite-type compounds: Crystal
	structures of erythrite and annabergite with a Mossbauer study of erythrite
	_database_code_amcsd 0006618
	10.179 13.309 4.725 90 105.00 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)
	NiMe1 0 0 0 .99 .0112 .0170 .0080 0 -.0005 0
	MgMe1 0 0 0 .01 .0112 .0170 .0080 0 -.0005 0
	NiMe2 0 .38583 0 .825 .0128 .0124 .0114 0 .0031 0
	MgMe2 0 .38583 0 .175 .0128 .0124 .0114 0 .0031 0
	As .31620 0 .37558 .0102 .0122 .0095 0 .0023 0
	O1 .1491 0 .3807 .0102 .0122 .0095 0 .0023 0
	O2 .4072 0 .7287 .0155 .0145 .0102 0 -.0003 0
	O3 .3429 .1076 .2104 .0153 .0135 .0147 .0015 .0052 -.0002
	OW1 .0961 .1135 .8126 .0155 .0196 .0153 -.0002 .0039 -.0007
	OW2 .4001 .2253 .7183 .0245 .0180 .0173 .0018 .0048 .0024
	H11 .118 .085 .674 .0229
	H12 .164 .128 .924 .0414
	H21 .372 .205 .545 .0466
	H22 .446 .275 .711 .0457
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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
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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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	Elbaite
	Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M,
	Lengauer C, Prem M
	European Journal of Mineralogy 20 (2008) 881-888
	Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship
	to the pressure-temperature conditions of formation
	Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar
	Note: O5 and O6 z-coordinates changed to match reported bond lengths
	_database_code_amcsd 0007264
	15.777 15.777 7.086 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2446 .53 .0225
	CaX 0 0 .2446 .09 .0225
	AlY .12079 .06040 -.34151 .667 .00799
	LiY .12079 .06040 -.34151 .3 .00799
	MnY .12079 .06040 -.34151 .03 .00799
	FeY .12079 .06040 -.34151 .003 .00799
	AlZ .29673 .26008 -.37240 .00647
	BT .19141 .18948 .01964 .065 .00539
	SiT .19141 .18948 .01964 .935 .00539
	B .10901 .21802 .4727 .0063
	O1 0 0 -.2045 .4 .0186
	OH1 0 0 -.2045 .6 .0186
	O2 .06021 .12042 .5106 .0130
	O3 .26139 .13069 -.47306 .01174
	O4 .09413 .18826 .09350 .00982
	O5 .18697 .09348 .11479 .01015
	O6 .19427 .18381 -.20587 .00768
	O7 .28625 .28584 .09589 .00718
	O8 .20953 .27006 .45705 .00766
	H3 .256 .1282 .411 .045
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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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	Nanlingite
	Yang Z, Giester G, Ding K, Tillmanns E
	European Journal of Mineralogy 23 (2011) 63-71
	Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration
	Locality: Nanling area, Hunan Province, China
	_database_code_amcsd 0018326
	10.2114 10.2114 25.689 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)
	As(1) 0 0 .340985 .00569 .00569 .00569 .00569 .00284 0 0
	As(2) .218805 .781195 .116669 .00582 .00574 .00574 .00532 .00238 -.00030 .00030
	Fe 0 0 .5 .00564 .00599 .00599 .00495 .00300 0 0
	Mg(1) .90403 .45201 .10159 .846 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120
	Fe(1) .90403 .45201 .10159 .154 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120
	Mg(2) .65072 0 0 .982 .00770 .0079 .0068 .0081 .00338 .00012 .00025
	Fe(2) .65072 0 0 .018 .00770 .0079 .0068 .0081 .00338 .00012 .00025
	Ca .88623 .11377 .11426 .727 .01874 .01744 .01744 .0221 .00928 -.00310 .00310
	Na .88623 .11377 .11426 .050 .01874 .01744 .01744 .0221 .00928 -.00310 .00310
	Li .8755 .1245 .0928 .223 .01874 .01744 .01744 .0221 .00928 -.00310 .00310
	Na 0 0 0 .918 .0152 .0184 .0184 .0087 .0092 0 0
	Li 0 0 0 .082 .0152 .0184 .0184 .0087 .0092 0 0
	O(1) .42367 .84734 -.02334 .00741 .0080 .0062 .0074 .0031 .00036 .0007
	O(2) .67253 .06133 -.07812 .00957 .0096 .0086 .0077 .0025 .0007 .0029
	O(3) .86125 .13875 -.15542 .0135 .0164 .0164 .0095 .0095 .0030 -.0030
	F(1) 0 0 .08423 .0330 .0382 .0382 .0226 .0191 0 0
	F(2) .23719 .76281 -.11937 .0194 .0142 .0142 .0193 -.0007 .0029 -.0029
	F(3) .27621 .13811 .02104 .01185 .0155 .0093 .0128 .0077 .0004 .00020
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	Cu2K(H3O2)(SO4)2
	Chevrier G, Giester G, Jarosch D, Zemann J
	Acta Crystallographica C46 (1990) 175-177
	Neutron diffraction study of the hydrogen-bond system
	in Cu2K(H3O2)(SO4)2
	_database_code_amcsd 0010091
	8.955 6.265 7.628 90 117.45 90 C2/m
	atom x y z occ Biso
	K 0 .5 .5 1.13
	Cu .25 .25 0 .63
	S .08005 0 .28776 .52
	O1 .18600 0 .18542 .85
	O2 .18462 0 .49968 1.10
	O3 -.02809 .19442 .22737 .84
	Oh .15621 .5 .07523 .68
	H1 .01876 .5 .01207 .5 1.63
	H2 .20284 .5 .21942 1.93
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	Natrochalcite
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds Me+Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010968
	8.809 6.187 7.509 90 118.74 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 .5 .5 .0152 .0364 .0184 0 .0048 0
	Cu .25 .25 0 .0060 .0062 .0083 .0004 .0026 -.0009
	S .09107 0 .30151 .0055 .0070 .0051 0 .0022 0
	O1 .1933 0 .192 .0142 .0134 .0145 0 .0109 0
	O2 .2088 0 .5181 .0140 .0183 .0056 0 .0007 0
	O3 -.0201 .1969 .2442 .0080 .0077 .0120 .0014 .0027 .0001
	OH4 .1574 .5 .0750 .5 .0064 .0076 .0073 0 .0036 0
	Wat4 .1574 .5 .0750 .5 .0064 .0076 .0073 0 .0036 0
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	RbCu2(OH)(SeO4)2(H2O)
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010969
	9.246 6.483 7.940 90 116.11 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Rb 0 .5 .5 .0147 .0208 .0117 0 .0028 0
	Cu .25 .25 0 .0099 .0111 .0139 .0000 .0031 -.0009
	Se .07206 0 .27885 .0093 .0105 .0097 0 .0025 0
	O1 .1880 0 .1697 .0180 .0173 .0194 0 .0127 0
	O2 .1797 0 .5031 .0173 .0314 .0087 0 .0003 0
	O3 -.0415 .2094 .2156 .0134 .0117 .0185 .0017 .0027 -.0019
	OH4 .1557 .5 .0719 .5 .0156 .0132 .0176 0 .0075 0
	Wat4 .1557 .5 .0719 .5 .0156 .0132 .0176 0 .0075 0
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	RbCu2(OH)(SO4)2(H2O)
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010970
	9.005 6.305 7.802 90 116.22 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Rb 0 .5 .5 .0106 .0228 .0113 0 .0029 0
	Cu .25 .25 0 .0071 .0095 .0148 .0004 .0037 -.0009
	S .07277 0 .27646 .0070 .0106 .0099 0 .0031 0
	O1 .1819 0 .1798 .0116 .0153 .0144 0 .0070 0
	O2 .1695 0 .4819 .0130 .0252 .0112 0 .0027 0
	O3 -.0344 .1931 .2155 .0098 .0104 .0178 .0011 .0033 -.0013
	OH4 .1548 .5 .0732 .5 .0091 .0105 .0176 0 .0066 0
	Wat4 .1548 .5 .0732 .5 .0091 .0105 .0176 0 .0066 0
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	KCu2(OH)(SeO4)2(H2O)
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010971
	9.186 6.423 7.830 90 117.26 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 .5 .0131 .0182 .0121 0 .0041 0
	Cu .25 .25 0 .0077 .0085 .0111 -.0001 .0029 -.0006
	Se .07820 0 .28821 .0068 .0081 .0076 0 .0027 0
	O1 .1901 0 .1736 .0140 .0134 .0154 0 .0102 0
	O2 .1954 0 .5171 .0163 .0251 .0083 0 .0010 0
	O3 -.0373 .2113 .2267 .0117 .0090 .0147 .0021 .0030 -.0011
	Wat4 .1561 .5 .0722 .5 .0094 .0108 .0123 0 .0049 0
	Oh4 .1561 .5 .0722 .5 .0094 .0108 .0123 0 .0049 0
	H .173 .5 .177 .5
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	NaCu2(OH)(SeO4)2(H2O)
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010972
	9.063 6.303 7.678 90 118.45 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 .5 .5 .0197 .0262 .0251 0 .0097 0
	Cu .25 .25 0 .0084 .0105 .0124 .0003 .0036 -.0005
	Se .08666 0 .30139 .0075 .0106 .0097 0 .0035 0
	O1 .1876 0 .1713 .0193 .0155 .0222 0 .0154 0
	O2 .2254 0 .5313 .0179 .0251 .0106 0 .0006 0
	O3 -.0329 .2143 .2478 .0105 .0129 .0159 .0020 .0034 -.0003
	Wat4 .1559 .5 .0714 .5 .0097 .0128 .0121 0 .0055 0
	Oh4 .1559 .5 .0714 .5 .0097 .0128 .0121 0 .0055 0
	H .211 .5 .194 .5
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	KCu2(OH)(SO4)2(H2O)
	Giester G, Zemann J
	Zeitschrift fur Kristallographie 179 (1987) 431-442
	The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
	[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
	Locality: synthetic
	_database_code_amcsd 0010973
	8.955 6.265 7.628 90 117.45 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 .5 .0096 .0203 .0106 0 .0029 0
	Cu .25 .25 0 .0057 .0072 .0110 .0003 .0027 -.0010
	S .08019 0 .28786 .0053 .0079 .0069 0 .0024 0
	O1 .1862 0 .1851 .0099 .0137 .0124 0 .0074 0
	O2 .1847 0 .5000 .0106 .0216 .0068 0 .0016 0
	O3 -.0283 .1946 .2276 .0080 .0086 .0133 .0016 .0025 -.0008
	Wat4 .1560 .5 .0746 .5 .0071 .0090 .0107 0 .0042 0
	OH4 .1560 .5 .0746 .5 .0071 .0090 .0107 0 .0042 0
	H .184 .5 .194 .5
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	Cerussite
	Chevrier G, Giester G, Heger G, Jarosch D, Wildner M, Zemann J
	Zeitschrift fur Kristallographie 199 (1992) 67-74
	Neutron single-crystal refinement of cerussite, PbCO3, and comparison with other
	aragonite-type carbonates
	Locality: Pribram, Czech Republic
	_database_code_amcsd 0011016
	5.179 8.492 6.141 90 90 90 Pmcn
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .25 .41702 .24560 .0115 .0101 .0110 0 0 .0001
	C .25 .76221 .08718 .0098 .0107 .0087 0 0 .0000
	O1 .25 .91299 .09649 .0206 .0116 .0183 0 0 .0028
	O2 .46445 .68597 .08893 .0110 .0181 .0216 .0032 .0011 -.0033
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	Natrochalcite
	Chevrier G, Giester G, Zemann J
	Zeitschrift fur Kristallographie 206 (1993) 7-14
	Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
	Variation of the hydrogen bond system in the natrochalcite-type series
	Locality: synthetic
	_database_code_amcsd 0011040
	8.809 6.187 7.509 90 118.74 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 .5 .5 .0152 .0389 .0170 0 .0037 0
	Cu .25 .25 0 .0053 .0052 .0072 .0003 .0021 -.0011
	S .0909 0 .3013 .0048 .0059 .0035 0 .0012 0
	O1 .1931 0 .1919 .0131 .0118 .0145 0 .0109 0
	O2 .2091 0 .5177 .0137 .0163 .0048 0 -.0004 0
	O3 -.0201 .1967 .2440 .0073 .0077 .0107 .0014 .0020 -.0002
	Oh .1576 .5 .0754 .0056 .0069 .0076 0 .0033 0
	H1 .0169 .5 .0069 .5 .0072 .0169 .0231 0 .0102 0
	H2 .2070 .5 .2239 .0222 .0248 .0148 0 .0087 0
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	RbCu2(SO4)2(OH)(H2O)
	Chevrier G, Giester G, Zemann J
	Zeitschrift fur Kristallographie 206 (1993) 7-14
	Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
	Variation of the hydrogen bond system in the natrochalcite-type series
	Locality: synthetic
	_database_code_amcsd 0011041
	9.246 6.483 7.940 90 116.11 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Rb1 0 .5 .5 .0128 .0179 .0099 0 .0030 0
	Cu1 .25 .25 0 .0070 .0081 .0108 -.0002 .0028 -.0006
	S1 .0720 0 .2789 .0066 .0077 .0074 0 .0025 0
	O1 .1874 0 .1697 .0124 .0132 .0151 0 .0083 0
	O2 .1801 0 .5029 .0157 .0272 .0085 0 .0017 0
	O3 -.0413 .2093 .2161 .0113 .0091 .0139 .0019 .0023 -.0014
	Oh .1565 .5 .0727 .0107 .0107 .0151 0 .0058 0
	H1 .0277 .5 .0210 .5 .0221 .0258 .0324 0 .0165 0
	H2 .1972 .5 .2089 .0339 .0327 .0224 0 .0135 0
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	Byelorussite-(Ce)
	Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Krotova O D
	Crystallography Reports 49 (2004) 964-968
	Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O
	Locality: Diabazavoe occurence, Zhitkovichi District, Belarus
	_database_code_amcsd 0012389
	22.301 10.514 9.669 90 90 90 Ama2
	atom x y z occ Uiso
	Na .5 .5 .3203 .95 .0283
	K .5 .5 .3203 .05 .0283
	Mn .5 .5 0 .52 .0165
	Zn .5 .5 0 .27 .0165
	Fe .5 .5 0 .16 .0165
	Mg .5 .5 0 .05 .0165
	Ba1 .75 -.07387 .3615 .95 .0202
	Sr1 .75 -.07387 .3615 .05 .0202
	Ba2 .75 -.04209 -.1267 .95 .0187
	Sr2 .75 -.04209 -.1267 .05 .0187
	Ce .52267 .18439 .1269 .01638
	Ti .68617 .19084 .1336 .0125
	Si1 .62861 .4743 .1345 .0128
	Si2 .60320 .2019 -.1689 .0135
	Si3 .61373 .1771 .4339 .0129
	Si4 .62760 .4057 -.3966 .0139
	O1 .6824 .0055 .1150 .0168
	O2 .75 -.2997 .5028 .0147
	O3 .4374 .0415 .0630 .0208
	O4 .75 .1792 .2640 .0136
	O5 .5617 .4176 .1265 .0206
	O6 .6357 .5758 .2638 .0191
	O7 .6152 .1733 .2667 .0157
	O8 .6232 .2081 -.0092 .0178
	O9 .6822 .3743 .1579 .0165
	O10 .6519 .3032 -.5138 .0175
	O11 .6497 .0507 .4930 .0180
	O12 .6302 .3273 -.2494 .0224
	O13 .5493 .1752 .5065 .0184
	O14 .5317 .1985 -.1781 .0244
	F .5 .5 -.2031 .7 .028
	OH .5 .5 -.2031 .3 .028
	Wat .75 .6968 .1761 .040
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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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	Carlinite
	Giester G, Lengauer C L, Tillmanns E, Zemann J
	Journal of Solid State Chemistry 168 (2002) 322-330
	Tl2S: Re-determination of crystal structure and stereochemical discussion
	Locality: synthetic
	_database_code_amcsd 0014029
	12.150 12.150 18.190 90 90 120 R3
	atom x y z Uiso
	Tl1 .1257 .2030 -.0781 .0457
	Tl2 .4685 .9065 -.0969 .0452
	Tl3 .8065 .5719 -.0992 .0449
	Tl4 .2407 .1060 .1046 .0451
	Tl5 .5399 .7488 .0846 .0453
	Tl6 .8712 .4124 .0850 .0457
	S1 0 0 .0365 .047
	S2 1/3 2/3 -.0255 .047
	S3 2/3 1/3 -.0261 .048
	S4 .0025 .6630 .0269 .041
	S5 .9992 .3234 -.0200 .047
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	Carlinite
	Giester G, Lengauer C L, Tillmanns E, Zemann J
	Journal of Solid State Chemistry 168 (2002) 322-330
	Tl2S: Re-determination of crystal structure and stereochemical discussion
	Sample: hypothetical idealized structure
	_database_code_amcsd 0014030
	12.150 12.150 18.190 90 90 120 R3
	atom x y z
	Tl1 1/9 2/9 -.0914
	Tl2 4/9 8/9 -.0914
	Tl3 7/9 5/9 -.0914
	Tl4 2/9 1/9 .0914
	Tl5 5/9 7/9 .0914
	Tl6 8/9 4/9 .0914
	S1 0 0 0
	S2 1/3 2/3 0
	S3 2/3 1/3 0
	S4 0 2/3 0
	S5 0 1/3 0
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	Paulingite-Ca
	Lengauer C L, Giester G, Tillmanns E
	Mineralogical Magazine 61 (1997) 591-606
	Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic
	Locality: Vinaricka Hora, Czech Republic
	_database_code_amcsd 0014528
	35.1231 35.1231 35.1231 90 90 90 Im3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT1 .31415 .25 .18585 .73 .0154 .0152 .016 .0152 .0011 .0025 .0011
	AlT1 .31415 .25 .18585 .27 .0154 .0152 .016 .0152 .0011 .0025 .0011
	SiT2 .40239 .25 .09761 .73 .0168 .0164 .018 .0164 -.0021 .002 -.0021
	AlT2 .40239 .25 .09761 .27 .0168 .0164 .018 .0164 -.0021 .002 -.0021
	SiT3 .31326 .24994 .09777 .73 .0164 .0149 .0190 .0152 .0024 -.0009 -.0033
	AlT3 .31326 .24994 .09777 .27 .0164 .0149 .0190 .0152 .0024 -.0009 -.0033
	SiT4 .45599 .10747 .04451 .73 .0182 .0193 .0183 .0169 .0054 -.0003 .0028
	AlT4 .45599 .10747 .04451 .27 .0182 .0193 .0183 .0169 .0054 -.0003 .0028
	SiT5 .40182 .17831 .04459 .73 .0175 .0163 .0180 .0183 .0024 -.0025 -.0029
	AlT5 .40182 .17831 .04459 .27 .0175 .0163 .0180 .0183 .0024 -.0025 -.0029
	SiT6 .31241 .17825 .04496 .73 .0164 .0167 .0187 .0138 -.0031 .0012 -.0008
	AlT6 .31241 .17825 .04496 .27 .0164 .0167 .0187 .0138 -.0031 .0012 -.0008
	SiT7 .25946 .10767 .04451 .73 .0149 .0144 .0161 .0141 -.0022 -.0003 .0029
	AlT7 .25946 .10767 .04451 .27 .0149 .0144 .0161 .0141 -.0022 -.0003 .0029
	SiT8 .17112 .10769 .04405 .73 .0168 .0160 .0182 .0161 .0047 .0016 .0034
	AlT8 .17112 .10769 .04405 .27 .0168 .0160 .0182 .0161 .0047 .0016 .0034
	O1 .1634 .0938 0 .029 .030 .029 .028 .000 0 0
	O2 .2683 .0969 0 .026 .030 .029 .018 .003 0 0
	O3 .3031 .1878 0 .025 .029 .030 .016 .002 0 0
	O4 .4087 .1898 0 .038 .052 .036 .025 -.011 0 0
	O5 .4490 .0962 0 .035 .032 .046 .028 -.003 0 0
	O6 .4493 .3786 0 .030 .034 .026 .029 .002 0 0
	O7 .0716 .0716 .1613 .032 .032 .032 .030 .009 .000 .000
	O8 .4303 .4303 .2315 .033 .032 .032 .034 .014 .006 .006
	O9 .1439 .1439 .0547 .029 .026 .026 .034 .009 -.001 -.001
	O10 .2860 .2860 .1961 .034 .031 .031 .039 .008 -.004 -.004
	O11 .2879 .2879 .0888 .036 .036 .036 .037 .009 .008 .008
	O12 .4302 .4302 .0536 .037 .035 .035 .040 .016 -.004 -.004
	O13 .2153 .1223 .0498 .027 .021 .029 .030 .004 .002 .002
	O14 .2878 .1413 .0592 .034 .035 .042 .025 -.019 .002 -.003
	O15 .3573 .1681 .0528 .033 .027 .038 .034 .000 -.001 .006
	O16 .4268 .1411 .0572 .040 .039 .039 .041 .022 .000 .003
	O17 .2997 .2163 .0685 .034 .035 .033 .035 -.004 .004 -.014
	O18 .4156 .2141 .0706 .034 .033 .029 .040 -.002 -.001 -.015
	O19 .3575 .2617 .0902 .031 .027 .034 .032 -.002 -.001 .007
	O20 .3075 .2355 .1417 .026 .034 .025 .020 -.003 .002 .006
	Ca1 .17896 .17896 .17896 .0379
	Ba2 .25711 .25711 0 .75 .0494
	K3 .39865 .39865 .14379 .75 .0498
	Ca3 .39865 .39865 .14379 .1458 .0498
	Ba3 .39865 .39865 .14379 .1041 .0498
	Ca9 .4191 .2874 0 .1875 .15
	Ca12 .175 0 0 .75 .150
	Na13 .257 0 0 .1041 .15
	Wat1 .1408 .1408 .1408 .086
	Wat2 .2176 .2176 .2176 .088
	Wat3 .2082 .2082 .0500 .071
	Wat4 .3500 .3500 .1968 .077
	Wat5 .3518 .3518 .0919 .75 .075
	Wat6 .2156 .2156 .1324 .5 .097
	Wat7 .1433 .1433 .2226 .5 .091
	Wat8 .3369 .2737 0 .75 .085
	Wat14 .410 0 0 .25 .19
	Wat15 .464 .433 .143 .25 .19
	Wat20 .455 0 0 .5 .19
	Wat24 .311 .030 0 .2917 .19
	Wat17 .0613 .0613 .0613 .25 .109
	Wat22 .0270 .0270 .1224 .1041 .109
	Wat23 .0302 .0302 0 .125 .109
	Wat10 .2992 .5 0 .3333 .109
	Wat11 .3592 .3592 0 .4167 .109
	Wat16 .4553 .2465 .0204 .3958 .109
	Wat19 .4544 .2845 0 .3542 .109
	Wat21 .3248 .3856 .0289 .1563 .109
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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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	Piypite
	Kahlenberg V, Piotrowski A, Giester G
	Mineralogical Magazine 64 (2000) 1099-1108
	Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic
	Na-analogue of piypite (caratiite)
	Locality; synthetic
	_database_code_amcsd 0014554
	18.451 18.451 4.9520 90 90 90 *P4/n
	.25 -.25 0
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na1 .60386 .27820 .01600 .0301 .0195 .0254 .0453 .0045 .0008 .0004
	Na2 .10444 .27925 .4694 .0306 .0197 .0291 .0431 .0067 .0002 -.0084
	Cu1 .05189 .05935 .47175 .0124 .0148 .0145 .0080 -.0028 .0003 .0003
	Cu2 .55123 .05974 .97817 .0129 .0151 .0146 .0091 -.0028 .0001 .0009
	S1 .41831 .34183 .9690 .0134 .0154 .0132 .0117 -.0020 -.0020 .0009
	O2 .3927 .4008 .1495 .0209 .0204 .0283 .0138 -.0011 -.0014 -.0073
	O4 .4008 .3621 .6823 .0186 .0234 .0219 .0104 -.0066 -.0026 .0009
	O7 .1661 .4967 .9976 .0265 .0247 .0152 .0397 -.0039 .0041 -.0066
	O9 .2253 .3799 .0261 .0284 .0209 .0333 .0309 .0126 -.0106 -.0073
	S2 .91906 .34094 .4896 .0134 .0154 .0135 .0114 -.0026 .0006 .0002
	O3 .6015 .3911 .3315 .0216 .0288 .0197 .0161 -.0008 -.0092 .0018
	O5 .9040 .3615 .2015 .0233 .0313 .0271 .0114 -.0102 -.0022 .0013
	O6 .6651 .4972 .4698 .0238 .0247 .0164 .0303 -.0038 .0005 -.0004
	O8 .7273 .3819 .4617 .0263 .0169 .0324 .0297 .0078 .0058 .0003
	O1 .4996 .5088 .2501 .0131 .0142 .0180 .0073 -.0012 -.0006 -.0001
	NaMe1 .75 .25 .5 .26 .0328 .0415 .0415 .0153 0 0 0
	CuMe1 .75 .25 .5 .37 .0328 .0415 .0415 .0153 0 0 0
	NaMe2 .25 .25 .0043 .26 .0325 .0404 .0404 .0166 0 0 0
	CuMe2 .25 .25 .0043 .37 .0325 .0404 .0404 .0166 0 0 0
	Cl1 .75 .25 0 .0300 .0173 .0173 .0554 0 0 0
	Cl2 .25 .25 .5068 .0301 .0174 .0174 .0556 0 0 0
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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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	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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	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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	Chalcocyanite
	Wildner M, Giester G
	Mineralogy and Petrology 39 (1988) 201-209
	Crystal structure refinements of synthetic
	chalcocyanite (CuSO4) and zincosite (ZnSO4)
	Locality: synthetic
	_database_code_amcsd 0014619
	8.409 6.709 4.833 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)
	Cu 0 0 0 .0097 .0092 .0089 .0108 .0016 -.0036 -.0027
	S .18363 .25 .44979 .0071 .0062 .0082 .0070 0 -.0003 0
	O1 .1293 .25 .7353 .0117 .0112 .0152 .0089 0 .0037 0
	O2 .3646 .25 .4385 .0092 .0037 .0096 .0143 0 .0000 0
	O3 .1328 .0674 .3083 .0111 .0103 .0098 .0131 -.0006 -.0041 -.0022
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	Zinkosite
	Wildner M, Giester G
	Mineralogy and Petrology 39 (1988) 201-209
	Crystal structure refinements of synthetic
	chalcocyanite (CuSO4) and zincosite (ZnSO4)
	Locality: synthetic
	_database_code_amcsd 0014620
	8.604 6.746 4.774 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)
	Zn 0 0 0 .0245 .0247 .0218 .0271 .0110 -.0164 -.0132
	S .18029 .25 .46659 .0092 .0082 .0114 .0080 0 -.0007 0
	O1 .1279 .25 .7622 .0147 .0165 .0187 .0090 0 .0023 0
	O2 .3545 .25 .4522 .0126 .0085 .0140 .0155 0 .0008 0
	O3 .1267 .0689 .3295 .0144 .0158 .0141 .0132 -.0020 -.0030 -.0023
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	NaFe[SeO4]2
	Giester G
	Mineralogy and Petrology 48 (1993) 227-233
	Crystal structure of the yavapaiite type compound NaFe[SeO4]2
	Locality: synthetic
	_database_code_amcsd 0014635
	8.231 5.425 7.176 90 92.44 90 C2/m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 0 .5 .0354 .0374 .0177 0 .0028 0
	Fe 0 0 0 .0121 .0104 .0129 0 -.0027 0
	Se .36520 0 .22411 .0133 .0090 .0118 0 -.0009 0
	O1 .2362 0 .0435 .0143 .0167 .0169 0 -.0049 0
	O2 .2862 0 .4246 .0314 .0378 .0141 0 .0066 0
	O3 .4822 .2463 .2048 .0238 .0121 .0214 -.0073 -.0080 .0051
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	Niedermayrite
	Giester G, Rieck B, Brandstatter F
	Mineralogy and Petrology 63 (1998) 19-34
	Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece
	Locality: Lavrion mining district, Attica peninsula, Greece
	_database_code_amcsd 0014641
	5.543 21.995 6.079 90 92.04 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)
	Cu1 -.00630 -.00111 .24915 .01631 .0141 .0223 .0126 .0009 .0003 .00127
	Cu2 .5 0 .5 .0169 .0130 .0233 .0144 -.0011 .0016 .0001
	Cu3 .5 0 0 .0166 .0130 .0223 .0145 .0011 -.0003 -.0005
	Cd .62100 .25 .47772 .02368 .0233 .0226 .0252 0 .00193 0
	S .31529 .13649 .18170 .0185 .0179 .0167 .0209 -.0013 .0013 -.0011
	O1 .5091 .14834 .0308 .0272 .029 .0220 .0313 -.0004 .0104 -.0027
	O2 .0796 .15132 .0758 .0273 .0226 .0234 .0356 -.0020 -.0042 .0043
	O3 .3176 .07153 .2452 .0202 .0225 .0177 .0204 .0013 -.0006 .0001
	O4 .3495 .17410 .3831 .0300 .0334 .0258 .0312 -.0133 .0048 -.0078
	Oh1 .1728 -.03980 .4960 .0183 .0182 .0207 .0161 -.0005 .0005 .0020
	Oh2 -.1747 .03809 -.0024 .0171 .0171 .0152 .0191 -.0006 .0015 .0011
	Oh3 .6209 -.04455 .2568 .0188 .0170 .0208 .0186 .0012 .0003 -.0020
	Ow1 .8296 .25 .1827 .0307 .034 .015 .044 0 .008 0
	Ow2 .4391 .25 .7900 .0336 .045 .028 .027 0 .005 0
	Ow3 .9092 .32653 .6148 .0310 .029 .0369 .0271 -.0037 -.0001 -.0063
	H1 .179 -.070 .483 .045
	H2 -.180 .072 .003 .045
	H3 .566 -.075 .246 .045
	H4 .889 .277 .166 .045
	H5 .467 .275 .874 .045
	H6 .039 .327 .540 .045
	H7 .953 .332 .750 .045
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	Nesquehonite
	Giester G, Lengauer C L, Rieck B
	Mineralogy and Petrology 70 (2000) 153-163
	The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece
	Locality: Sounion, Lavrion mining district, Greece
	_database_code_amcsd 0014644
	7.701 5.365 12.126 90 90.41 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)
	Mg .25174 .08904 .14970 .01641 .0232 .0121 .0140 -.00004 .0004 -.00021
	C .2440 .13800 .40863 .0169 .0215 .0141 .0152 .0009 .0004 -.0006
	O1 .52293 .0924 .15188 .0280 .0245 .0289 .0308 -.007 .0046 .0054
	O2 .98342 .0948 .14742 .0335 .0233 .0535 .0237 .0056 -.0021 .0001
	O3 .2598 .41104 .06205 .0263 .0476 .0125 .0188 .0012 .0005 -.0007
	O4 .24401 .20669 .30691 .0213 .0351 .0148 .0139 -.0008 .0012 -.0005
	O5 .25136 .81644 .02004 .0205 .0327 .0146 .0141 .0011 .0011 .0020
	O6 .2803 .3498 .83840 .0382 .0508 .0393 .0246 .0003 .0024 -.0020
	H1 .582 .153 .100 .043
	H2 .575 -.033 .158 .067
	H3 .920 .155 .093 .047
	H4 .925 .114 .206 .039
	H5 .177 .313 .829 .040
	H6 .273 .378 .904 .063
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	Arsentsumebite
	Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A
	Mineralogy and Petrology 75 (2002) 79-88
	The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH)
	Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia
	_database_code_amcsd 0014646
	7.804 5.890 8.964 90 112.29 90 P2_1/m
	atom x y z occ Biso
	Pb1 .7163 .25 .2412 3.4
	Pb2 .2987 .25 .3869 2.8
	Cu 0 0 0 1.50
	As1 .5584 .25 -.1715 .63 1.0
	S1 .5584 .25 -.1715 .37 1.0
	As2 -.0449 .25 -.3502 .37 1.2
	S2 -.0449 .25 -.3502 .63 1.2
	OH1 .1707 .25 .0811 .9
	O2 -.2413 .25 -.4682 2.9
	O3 .0928 .25 .5563 4.8
	O4 .4336 .25 .9346 3.8
	O5 .7754 .25 -.0543 2.1
	O6 -.0002 .0302 -.2410 2.6
	O7 .5099 .0252 -.2875 2.5
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	Leogangite
	Lengauer C L, Giester G, Kirchner E
	Mineralogy and Petrology 81 (2004) 187-201
	Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining
	district, Salzburg province, Austria
	Locality: Leogang polymetallic ore district, Salzburg province, Austria
	_database_code_amcsd 0014647
	21.770 12.327 10.720 90 92.85 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)
	Cu1 .2355 .0338 .2184 .0365 .044 .048 .017 .000 .003 .002
	Cu2 .3638 .1397 .0948 .0387 .048 .050 .018 -.001 .003 .003
	Cu3 .1635 .1355 .4862 .0404 .051 .048 .023 .000 .004 .003
	Cu4 .1304 .4584 .1609 .0402 .044 .058 .019 .000 .001 -.001
	Cu5 .1634 .2337 .1929 .0412 .050 .055 .019 .001 .002 .003
	As1 .1784 .3883 .4349 .0353 .042 .047 .017 .000 .0012 .001
	As2 .3114 .3913 .0677 .0364 .048 .044 .017 .000 .0017 .002
	S .5 .0867 .250 .047 .036 .071 .032 0 -.002 0
	O1 .1790 .286 .539 .041 .038 .06 .027 .006 .001 .001
	O2 .1398 .354 .300 .040 .05 .05 .018 -.007 .004 -.007
	O3 .2507 .427 .405 .042 .05 .06 .025 .007 .001 .001
	O4 .1375 .496 .490 .036 .039 .04 .025 .000 .005 -.004
	O5 .3633 .491 .066 .043 .026 .06 .046 .004 .004 .000
	O6 .2502 .432 .145 .040 .06 .05 .017 -.005 .003 -.004
	O7 .3446 .285 .144 .045 .07 .05 .021 .004 -.018 .018
	O8 .2893 .358 -.084 .047 .06 .06 .027 -.004 -.001 .000
	O9 .463 .026 .329 .111 .09 .13 .11 .06 -.01 -.02
	O10 .459 .154 .171 .079 .07 .08 .09 .03 -.029 -.014
	OH1 .2092 .156 .326 .038 .05 .05 .019 .000 .013 -.001
	OH2 .1149 .320 .073 .039 .037 .06 .018 -.001 -.005 .003
	OH3 .3357 .080 .249 .036 .027 .05 .027 -.001 .004 .008
	Wat1 .080 .121 .218 .12 .11 .12 .14 .05 -.01 -.01
	Wat2 .1147 .118 .640 .065 .06 .09 .044 -.013 .007 -.002
	Wat3 .012 .320 .425 .102 .09 .13 .09 .01 .01 -.01
	Wat4 .485 .391 .101 .16 .14 .17 .16 -.01 .01 .00
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	Szmikite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014851
	7.116 7.667 7.920 90 118.11 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)
	Mn 0 .5 0 .0143 .0170 .0166 .0001 .0064 .0015
	S 0 .14983 .25 .0114 .0137 .0162 0 .0055 0
	O1 .1679 .0398 .3926 .0157 .0282 .0276 .0062 .0084 .0117
	O2 .0944 .2615 .1574 .0205 .0196 .0282 .0021 .0141 .0070
	O3 0 .6485 .25 .0215 .0209 .0193 0 .0098 0
	H .097 .733 .279 .0558
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	Szomolnokite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014852
	7.078 7.549 7.773 90 118.65 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)
	Fe 0 .5 0 .0121 .0164 .0205 .0001 .0073 .0011
	S 0 .15307 .25 .0101 .0145 .0205 0 .0067 0
	O1 .1697 .0429 .3985 .0137 .0232 .0283 .0042 .0082 .0079
	O2 .0956 .2683 .1560 .0180 .0200 .0278 .0029 .0133 .0063
	O3 0 .6444 .25 .0160 .0206 .0254 0 .0097 0
	H .108 .709 .315 .088
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	Cobaltkieserite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014853
	6.960 7.586 7.621 90 118.56 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)
	Co 0 .5 0 .0130 .0148 .0146 .0001 .0062 .0005
	S 0 .15371 .25 .0116 .0134 .0148 0 .0057 0
	O1 .1725 .0429 .4004 .0149 .0216 .0223 .0036 .0072 .0074
	O2 .0969 .2667 .1540 .0182 .0172 .0235 .0020 .0123 .0055
	O3 0 .6383 .25 .0170 .0177 .0173 0 .0085 0
	H .110 .714 .284 .042
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	Dwornikite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014854
	6.824 7.594 7.457 90 117.79 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)
	Ni 0 .5 0 .0119 .0108 .0109 -.0001 .0053 .0004
	S 0 .15667 .25 .0107 .0099 .0112 0 .0051 0
	O1 .1724 .0469 .4031 .0125 .0185 .0174 .0039 .0060 .0066
	O2 .1032 .2697 .1548 .0156 .0132 .0177 .0012 .0097 .0037
	O3 0 .6316 .25 .0135 .0129 .0128 0 .0058 0
	H .094 .706 .283 .0376
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	Gunningite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014855
	6.925 7.591 7.635 90 118.19 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)
	Zn 0 .5 0 .0171 .0177 .0209 .0002 .0094 .0010
	S 0 .15510 .25 .0146 .0150 .0196 0 .0088 0
	O1 .1714 .0440 .3997 .0177 .0237 .0268 .0041 .0096 .0068
	O2 .0993 .2687 .1556 .0207 .0194 .0274 .0020 .0153 .0054
	O3 0 .6380 .25 .0176 .0206 .0216 0 .0099 0
	H .101 .701 .287 .043
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	Kleinite
	Giester G, Mikenda W, Pertlik F
	Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 49-56
	Kleinite from Terlingua, Brewster County, Texas: Investigations
	by single crystal X-ray diffraction, and vibrational spectroscopy
	Locality: Terlingua, Brewster County, Texas, USA
	_database_code_amcsd 0014883
	6.762 6.762 11.068 90 90 120 P6_3/mmc
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg1 1/3 2/3 .25 .027 .027 .005 .0135 0 0
	Hg2 .5 0 0 .024 .021 .008 .0120 0 0
	N 1/3 2/3 .0625 .020
	S1 0 0 .25 .25 .090 .090 .283 .045 0 0
	S2 -.0364 -.0728 .25 .25 .036 .064 .019 .018 0 0
	Cl 0 0 0 .072 .072 .072 .036 0 0
	Wat1 .6062 .8031 .75 .1 .039 .064 .026 .019 0 0
	Wat2 .6682 .8341 .0000 .1 .038
	Wat3 1/3 2/3 .75 .1 .089
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	Ancylite-(La)
	Petersen O V, Niedermayr G, Gault R A, Brandstatter F, Micheelsen H I, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 493-504
	Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland
	Locality: Ilimaussaq alkaline complex, South Greenland
	_database_code_amcsd 0014913
	5.044 8.541 7.292 90 90 90 Pmcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SrM .25 .34134 .64817 .31 .01080 .00997 .01079 .01163 0 0 -.00043
	CaM .25 .34134 .64817 .05 .01080 .00997 .01079 .01163 0 0 -.00043
	LaM .25 .34134 .64817 .27 .01080 .00997 .01079 .01163 0 0 -.00043
	NdM .25 .34134 .64817 .205 .01080 .00997 .01079 .01163 0 0 -.00043
	PrM .25 .34134 .64817 .07 .01080 .00997 .01079 .01163 0 0 -.00043
	CeM .25 .34134 .64817 .04 .01080 .00997 .01079 .01163 0 0 -.00043
	SmM .25 .34134 .64817 .01 .01080 .00997 .01079 .01163 0 0 -.00043
	C .75 .1918 .813 .0119 .0118 .0127 .0111 0 0 .0016
	O1 .75 .3213 .7258 .0233 .0190 .0180 .033 0 0 .0119
	O2 .5291 .1238 .8519 .0182 .0135 .0195 .0217 -.0019 .0014 .0019
	Wat .25 .4151 .9771 .5 .0313 .041 .036 .016 0 0 .0053
	OH .25 .4151 .9771 .425 .0313 .041 .036 .016 0 0 .0053
	F .25 .4151 .9771 .075 .0313 .041 .036 .016 0 0 .0053
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	Bismutocolumbite
	Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E,
	Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
	Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
	Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
	structural relation to the other ABO4 minerals with
	stibiotantalite (SbTaO4) structure
	Locality: Malkhan field, Central Transbaikalia, Russia
	_database_code_amcsd 0014918
	5.668 11.725 4.971 90 90 90 Pnna
	atom x y z occ Uiso
	Bi .25 .5 .7803 .0184
	Nb .3488 .25 .25 .79 .0080
	Ta .3488 .25 .25 .21 .0080
	O1 .1392 .3051 .5046 .0131
	O2 .4143 .0979 .4124 .0092
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	Stibiocolumbite
	Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F,
	Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
	Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
	Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
	structural relation to the other ABO4 minerals with
	stibiotantalite (SbTaO4) structure
	Locality: Mesa Grande, California, USA
	_database_code_amcsd 0014919
	5.557 4.932 11.808 90 90 90 Pna2_1
	atom x y z occ Uiso
	Sb .52369 .04914 .24729 .0093
	Nb .88867 -.00667 -.00157 .33 .0048
	Ta .88867 -.00667 -.00157 .67 .0048
	O1 .3462 .3313 .1576 .0084
	O2 .8242 .8352 .8477 .0081
	O3 .0845 .7119 .0563 .0106
	O4 .1290 .2270 -.0483 .0117
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	Effenbergerite
	Giester G, Rieck B
	Mineralogical Magazine 58 (1994) 663-670
	Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field,
	South Africa: description and crystal structure
	Locality: Wessels mine, Kalahari Manganese Field, South Africa
	_database_code_amcsd 0018763
	7.442 7.442 16.133 90 90 90 *P4/ncc
	.25 -.25 0
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu .25 .25 .09448 .0101 .0078 .0078 .0146 0 0 0
	Ba .25 .75 0 .0135 .0154 .0154 .0098 0 0 0
	Si .51860 .93877 .15462 .0096 .0088 .0091 .0109 -.0012 .0010 -.0001
	O1 .4758 .9758 .25 .0331 .0403 .0403 .0188 -.0131 .0131 -.0093
	O2 .7244 .9991 .1364 .0192 .0100 .0264 .0212 .0058 -.0007 -.0016
	O3 .3877 .0311 .0903 .0192 .0181 .0115 .0300 -.0025 -.0096 .0056
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	Cancrisilite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# u1631
	Locality: Lovozero
	_database_code_amcsd 0018867
	12.584 12.584 5.101 90 90 120 P6_3mc
	atom x y z occ Uiso
	Si .079337 .412136 .75 .62 .00796
	Al .079337 .412136 .75 .38 .00796
	O1 .20219 -.20219 .66167 .01749
	O2 .44218 -.44218 .72436 .02156
	O3 .03638 .35694 .05218 .01725
	Na1 1/3 2/3 .6341 .822 .0348
	Wat 1/3 2/3 .140 .22 .059
	Wat' .3811 .6905 .1913 .26 .0577
	Na2' .12384 -.12384 .3022 .49 .0248
	Na2 .1219 -.1219 .263 .47 .0259
	C1 0 0 .6524 .278 .0253
	OC1 .05911 .1182 .6524 .278 .0335
	C2 0 0 .9146 .274 .0248
	OC2 .05926 .1185 .9146 .274 .0311
	C3 0 0 .7820 .152 .0128
	OC3 .0594 .1189 .7820 .152 .0162
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# Kovd15/1
	Locality: Kovdor
	_database_code_amcsd 0018868
	12.683 12.683 5.190 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .33005 .41291 .75 .00910
	Al2 .07606 .41389 .75067 .89 .00924
	Si2 .07606 .41389 .75067 .11 .00924
	O1 .20288 .40452 .6721 .0187
	O2 .11904 .56549 .7268 .0238
	O3 .02646 .35346 .0548 .0194
	O4 .32153 .36118 .0386 .0191
	Na .6667 .3333 .1270 .0346
	Wat .6980 .3874 .6897 .333 .0582
	NaA .13129 .26535 .2863 .81 .0522
	KA .13129 .26535 .2863 .05 .0522
	C1 0 0 .679 .171 .039
	OC1 .0540 .1141 .679 .171 .055
	C2 0 0 .889 .169 .038
	OC2 .0344 .1142 .889 .169 .080
	C3 0 0 .516 .097 .024
	OC3 .1005 .0051 .516 .097 .034
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# Kovd5
	Locality: Kovdor
	_database_code_amcsd 0018869
	12.606 12.606 5.118 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .328797 .411271 .75 .00758
	Al2 .07557 .412385 .75065 .89 .00764
	Si2 .07557 .412385 .75065 .11 .00764
	O1 .20304 .40468 .65957 .01530
	O2 .11582 .56377 .72443 .01919
	O3 .03076 .35266 .06175 .01552
	O4 .31616 .36021 .04513 .01569
	Na .6667 .3333 .1315 .0299
	Wat .6873 .3015 .6848 .333 .0562
	NaA' .1249 .2525 .2972 .62 .0254
	CaA' .1249 .2525 .2972 .02 .0254
	NaA .1194 .2418 .2627 .35 .0279
	CaA .1194 .2418 .2627 .01 .0279
	C1 0 0 .644 .32 .036
	OC1 .0575 .1180 .644 .32 .043
	C2 0 0 .9054 .252 .0223
	OC2 .0576 .1179 .9054 .252 .0317
	C4 0 0 .758 .15 .010
	OC4 .0570 .1171 .758 .15 .024
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# kir2343
	Locality: Khibiny
	_database_code_amcsd 0018870
	12.607 12.607 5.111 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .328823 .411280 .75 .00725
	Al2 .07563 .41234 .75076 .90 .00719
	Si2 .07563 .41234 .75076 .10 .00719
	O1 .20311 .40467 .65898 .01472
	O2 .11579 .56374 .7243 .01825
	O3 .03099 .35279 .06220 .01511
	O4 .31617 .36021 .04601 .01547
	Na 2/3 1/3 .1308 .0299
	Wat .6143 .3129 .6849 .333 .0570
	NaA' .1236 .2504 .2992 .57 .0230
	CaA' .1236 .2504 .2992 .05 .0230
	NaA .1195 .2410 .2677 .34 .0259
	CaA .1195 .2410 .2677 .02 .0259
	C1 .0 .0 .6399 .289 .0215
	OC1 .0579 .1182 .6399 .289 .0233
	C2 .0 .0 .9089 .251 .0146
	OC2 .0580 .1178 .9089 .251 .0225
	C4 .0 .0 .7583 .196 .0111
	OC4 .0580 .1188 .7583 .196 .0175
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# tz3/1
	Locality: Tamazeght
	_database_code_amcsd 0018871
	12.625 12.625 5.122 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32817 .41076 .75 .0099
	Al2 .07537 .41230 .7511 .94 .0088
	Si2 .07537 .41230 .7511 .06 .0088
	O1 .2028 .4037 .6579 .0156
	O2 .1132 .5635 .7283 .0221
	O3 .0299 .3502 .0618 .0177
	O4 .3141 .3564 .0443 .0177
	Na 2/3 1/3 .1353 .845 .0370
	Wat .695 .3756 .684 .333 .061
	NaA .1230 .24943 .2944 .77 .0269
	CaA .1230 .24943 .2944 .20 .0269
	C1 0 0 .669 .402 .040
	OC1 .0559 .1178 .669 .402 .046
	C2 0 0 .899 .365 .059
	OC2 .059 .1194 .899 .365 .056
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# tz5/1
	Locality: Tamazeght
	_database_code_amcsd 0018872
	12.618 12.618 5.144 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32849 .41087 .75 .00881
	Al2 .07534 .41255 .7509 .92 .00886
	Si2 .07534 .41255 .7509 .08 .00886
	O1 .20368 .40528 .6629 .0159
	O2 .11412 .56335 .7283 .0214
	O3 .02878 .3506 .0582 .0171
	O4 .31591 .3576 .0422 .0178
	Na .6667 .3333 .1311 .0422
	Wat .697 .378 .6905 .333 .073
	NaA .12555 .25371 .2955 .77 .0295
	CaA .12555 .25371 .2955 .15 .0295
	C1 0 0 .644 .289 .019
	OC1 .0575 .1178 .644 .289 .024
	C2 0 0 .936 .272 .029
	OC2 .0522 .1168 .936 .272 .067
	C4 0 0 .762 .160 .016
	OC4 .0589 .1170 .762 .160 .024
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# 11/1
	Locality: Khibiny
	_database_code_amcsd 0018873
	12.618 12.618 5.116 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32841 .41111 .75 .00699
	Al2 .07525 .41236 .75094 .93 .00723
	Si2 .07525 .41236 .75094 .07 .00723
	O1 .20317 .40479 .65897 .01388
	O2 .11541 .56393 .7249 .01830
	O3 .03040 .35195 .06234 .01469
	O4 .31531 .35986 .04496 .01472
	Na 2/3 1/3 .1323 .0288
	Wat .6157 .3146 .6852 .333 .0534
	NaA' .1248 .2525 .2996 .55 .0209
	CaA' .1248 .2525 .2996 .05 .0209
	NaA .1190 .2411 .276 .35 .0263
	CaA .1190 .2411 .276 .04 .0263
	C1 0 0 .660 .225 .0177
	OC1 .0577 .1187 .660 .225 .0163
	C2 0 0 .9029 .247 .0198
	OC2 .0577 .1185 .9029 .247 .0262
	C3 0 0 .581 .092 .007
	OC3 .0566 .1145 .581 .092 .016
	C4 0 0 .7581 .172 .0108
	OC4 .0567 .1186 .7581 .172 .0176
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# mmf28962
	Locality: Ilmeny Mountains, southern Urals, Russia
	_database_code_amcsd 0018874
	12.617 12.617 5.129 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32795 .41047 .75 .00926
	Al2 .07506 .41250 .75085 .97 .00954
	Si2 .07506 .41250 .75085 .03 .00954
	O1 .20308 .40495 .6581 .0166
	O2 .11353 .56358 .7273 .0211
	O3 .02942 .34970 .0598 .0174
	O4 .31396 .35719 .0433 .0168
	Na 2/3 1/3 .124 .705 .0343
	Na' 2/3 1/3 .187 .18 .026
	Wat .6849 .3068 .6857 .333 .066
	NaA .12273 .24770 .2913 .64 .0253
	CaA .12273 .24770 .2913 .16 .0253
	NaA' .1320 .2699 .2998 .15 .038
	CaA' .1320 .2699 .2998 .04 .038
	C1 0 0 .715 .211 .021
	OC1 .0575 .1202 .715 .211 .022
	C2 0 0 .944 .185 .011
	OC2 .0575 .1165 .944 .185 .026
	C3 0 0 .626 .225 .024
	OC3 .0572 .1172 .626 .225 .024
	C4 0 0 .844 .150 .006
	OC4 .0587 .1192 .844 .150 .025
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# mmf62633/2
	Locality: Dakhuunur
	_database_code_amcsd 0018875
	12.613 12.613 5.124 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32770 .41029 .75 .00911
	Al2 .07504 .41252 .7511 .97 .00991
	Si2 .07504 .41252 .7511 .03 .00991
	O1 .20285 .40426 .6582 .0156
	O2 .1127 .56339 .7281 .0204
	O3 .02932 .3487 .0608 .0162
	O4 .31292 .3565 .0430 .0161
	Na 2/3 1/3 .1380 .815 .0382
	Wat .691 .3741 .679 .333 .061
	NaA .12252 .24759 .2959 .64 .0222
	CaA .12252 .24759 .2959 .25 .0222
	NaA' .1424 .2866 .288 .06 .0222
	CaA' .1424 .2866 .288 .02 .0222
	C1 0 0 .6751 .432 .044
	OC1 .0578 .1186 .6751 .432 .046
	C2 0 0 .912 .373 .038
	OC2 .0590 .1185 .912 .373 .044
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	Cancrinite
	Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
	Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
	The Canadian Mineralogist 49 (2012) 1129-1150
	Crystal chemistry of cancrinite-group minerals with an AB-type framework:
	A review and new data. I. Chemical and structural variations
	Note: Sample# ggm44331
	Locality: Vishnevye Mountains
	_database_code_amcsd 0018876
	12.627 12.627 5.136 90 90 120 P6_3
	atom x y z occ Uiso
	Si1 .32815 .41088 .75 .01027
	Al2 .07515 .41252 .7510 .94 .01077
	Si2 .07515 .41252 .7510 .06 .01077
	O1 .20301 .40490 .6605 .0172
	O2 .11441 .56360 .7266 .0219
	O3 .02867 .34943 .0600 .0168
	O4 .31430 .35775 .0427 .0177
	Na 2/3 1/3 .1345 .0374
	Wat .686 .303 .6892 .333 .064
	NaA .1223 .2452 .2867 .44 .0241
	CaA .1223 .2452 .2867 .10 .0241
	NaA' .1269 .2601 .301 .39 .040
	CaA' .1269 .2601 .301 .07 .040
	C1 0 0 .692 .19 .016
	OC1 .0574 .1194 .692 .19 .010
	C2 0 0 .935 .216 .012
	OC2 .0603 .1155 .935 .216 .034
	C3 0 0 .611 .21 .023
	OC3 .0541 .1138 .611 .21 .034
	C4 0 0 .810 .234 .018
	OC4 .060 .123 .810 .234 .071
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