Curetonite
	Cooper M A, Hawthorne F C
	American Mineralogist 79 (1994) 545-549
	The crystal structure of curetonite, a complex heteropolyhedral sheet mineral
	Data has been corrected according to the ICSD
	_database_code_amcsd 0001660
	6.977 12.564 5.223 90 102.15 90 P2_1/n
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .31601 .30290 .45914 .0135 .0123 .0219 -.0017 -.0044 .0053
	P .3036 .1135 -.0694 .0093 .0073 .0087 -.0004 .0016 -.0008
	Al1 0 .5 0 .66 .0211 .0078 .0081 -.0052 .0048 -.0016
	Ti 0 .5 0 .34 .0211 .0078 .0081 -.0052 .0048 -.0016
	Al2 .5 .5 0 .0092 .0094 .0100 .0012 .0023 .0016
	O1 .2105 .2235 -.0701 .0161 .0109 .0167 .0021 .0056 .0007
	O2 .4330 .0927 .2030 .0172 .0106 .0105 .0011 -.0010 .0012
	O3 -.0584 .3858 .2290 .0105 .0113 .0121 .0005 .0044 .0007
	O4 .2636 .4474 .0679 .0085 .0131 .0123 .0034 .0054 .0052
	O5 .6445 .4724 .3497 .0132 .0155 .0099 .0059 .0023 .0037
	F .0521 .1306 .3945 .0130 .0113 .0176 -.0016 .0015 .0010
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	Kombatite
	Cooper M A, Hawthorne F C
	American Mineralogist 79 (1994) 550-554
	The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral
	sheet mineral
	_database_code_amcsd 0001661
	12.682 22.566 11.279 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)
	Pb1 .1136 .0841 .1807 .0104 .0128 .0114 .0011 .0058 -.0021
	Pb2 .3706 .0876 .0761 .0114 .0155 .0135 -.0023 .0057 -.0025
	Pb3 .1271 .4219 .4547 .0146 .0122 .0122 .0019 .0077 .0011
	Pb4 .3780 .4174 .3074 .0132 .0133 .0106 .0040 .0069 -.0016
	Pb5 .3541 .1948 .3001 .0142 .0101 .0154 -.0007 .0082 -.0009
	Pb6 .1213 .1988 .4211 .0135 .0136 .0136 -.0039 .0070 -.0040
	Pb7 .3998 .3034 .0617 .0095 .0119 .0142 .0008 .0063 .0003
	V .1360 .3214 .1765 .0090
	Cl1 .372 .4957 .060 .0204
	Cl2 .3739 .0134 .2982 .0159
	O1 .238 .146 .114 .0149
	O2 .253 .135 .381 .0197
	O3 .476 .358 .487 .0032
	O4 .010 .351 .045 .0206
	O5 .251 .340 .143 .0125
	O6 0 .145 .25 .0119
	O7 .5 .145 .25 .0145
	O8 .5 .368 .25 .0188
	O9 .172 .352 .328 .0266
	O10 .104 .249 .172 .0651
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	Pinchite
	Hawthorne F C, Cooper M A, Sen Gupta P K
	American Mineralogist 79 (1994) 1199-1203
	The crystal structure of pinchite, Hg5Cl2O4
	_database_code_amcsd 0001692
	11.619 6.105 11.710 90 90 90 Ibam
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg1 .1405 .2145 0 .0170 .0171 .0112 .0001 0 0
	Hg2 .1618 .5 .25 .0222 .0112 .0153 0 0 -.0025
	Hg3 0 0 .25 .0117 .0186 .0379 0 0 0
	Cl .1082 .275 .5 .0088 .0275 .0272 .0027 0 0
	O .144 .199 .1754 .0300 .0163 .0114 -.0066 -.0037 .0006
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	Georgeericksenite
	Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A
	American Mineralogist 83 (1998) 390-399
	Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
	Chacabuco, Chile: Description and crystal structure
	_database_code_amcsd 0001978
	23.645 10.918 15.768 90 114.42 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1223 .25 .016 .014 .014 0 .002 0
	Mg .5 .1056 .25 .023 .012 .013 0 .011 0
	Na1 .1379 .1783 .1780 .029 .028 .025 -.001 .013 .003
	Na2 .1228 .3922 .3304 .026 .022 .022 -.003 .005 .001
	Na3 .3777 .1291 .0189 .030 .033 .037 0 .012 -.004
	I1 .12628 .11870 .49298 .0164 .0153 .0143 .0018 .0038 .0007
	I2 .00440 .37451 .08827 .0149 .0137 .0111 -.0009 .0053 -.0008
	I3 .36796 .15586 .29555 .0177 .0181 .0175 -.0003 .0069 .0041
	Cr .4843 .3465 .0852 .016 .012 .013 -.001 .004 .001
	O1 .3272 .2589 .4317 .022 .024 .018 -.003 .004 -.005
	O2 .1789 .0616 .4456 .027 .035 .031 -.001 .014 .011
	O3 .0786 .2143 .3950 .019 .016 .015 .005 .000 .003
	O4 .0511 .2896 .1928 .014 .027 .011 .004 .002 .004
	O5 .0336 .4799 .3624 .015 .027 .015 .006 .004 -.004
	O6 .0630 .4704 .0767 .013 .024 .026 -.001 .005 -.007
	O7 .3272 .2846 .2247 .043 .022 .024 .003 .007 .023
	O8 .3081 .0427 .2601 .023 .053 .055 .026 .001 -.009
	O9 .4075 .0991 .2278 .032 .041 .017 .003 .016 .018
	O10 .0614 .1818 .0206 .040 .049 .020 -.011 .001 .009
	O11 .4772 .2344 .1450 .090 .032 .052 .015 .036 -.004
	O12 .4668 .4759 .1204 .030 .025 .026 -.008 .003 -.001
	O13 .4446 .3503 .4038 .025 .056 .069 .014 .021 -.001
	Wat1 .0975 .0281 .2522 .038 .021 .038 -.004 .018 .005
	Wat2 .1947 .3370 .1437 .044 .028 .024 .007 .014 -.002
	Wat3 .1982 .2442 .3359 .020 .031 .033 -.007 .013 .004
	OW4A .1895 -.003 .167
	OW4B .1979 .063 .118
	Wat5 .1865 .4556 .4851 .032 .026 .024 -.007 .012 -.001
	Wat6 .3130 .2809 .0420 .050 .043 .041 .011 .027 .004
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	George-ericksenite
	Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A
	American Mineralogist 83 (1998) 390-399
	Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
	Chacabuco, Chile: Description and crystal structure
	_database_code_amcsd 0001979
	23.645 10.918 15.768 90 114.42 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1223 .25 .016 .014 .014 0 .002 0
	Mg .5 .1056 .25 .023 .012 .013 0 .011 0
	Na1 .1379 .1783 .1780 .029 .028 .025 -.001 .013 .003
	Na2 .1228 .3922 .3304 .026 .022 .022 -.003 .005 .001
	Na3 .3777 .1291 .0189 .030 .033 .037 0 .012 -.004
	I1 .12628 .11870 .49298 .0164 .0153 .0143 .0018 .0038 .0007
	I2 .00440 .37451 .08827 .0149 .0137 .0111 -.0009 .0053 -.0008
	I3 .36796 .15586 .29555 .0177 .0181 .0175 -.0003 .0069 .0041
	Cr .4843 .3465 .0852 .016 .012 .013 -.001 .004 .001
	O1 .3272 .2589 .4317 .022 .024 .018 -.003 .004 -.005
	O2 .1789 .0616 .4456 .027 .035 .031 -.001 .014 .011
	O3 .0786 .2143 .3950 .019 .016 .015 .005 .000 .003
	O4 .0511 .2896 .1928 .014 .027 .011 .004 .002 .004
	O5 .0336 .4799 .3624 .015 .027 .015 .006 .004 -.004
	O6 .0630 .4704 .0767 .013 .024 .026 -.001 .005 -.007
	O7 .3272 .2846 .2247 .043 .022 .024 .003 .007 .023
	O8 .3081 .0427 .2601 .023 .053 .055 .026 .001 -.009
	O9 .4075 .0991 .2278 .032 .041 .017 .003 .016 .018
	O10 .0614 .1818 .0206 .040 .049 .020 -.011 .001 .009
	O11 .4772 .2344 .1450 .090 .032 .052 .015 .036 -.004
	O12 .4668 .4759 .1204 .030 .025 .026 -.008 .003 -.001
	O13 .4446 .3503 .4038 .025 .056 .069 .014 .021 -.001
	Wat1 .0975 .0281 .2522 .038 .021 .038 -.004 .018 .005
	Wat2 .1947 .3370 .1437 .044 .028 .024 .007 .014 -.002
	Wat3 .1982 .2442 .3359 .020 .031 .033 -.007 .013 .004
	OW4A .1895 -.003 .167
	OW4B .1979 .063 .118
	Wat5 .1865 .4556 .4851 .032 .026 .024 -.007 .012 -.001
	Wat6 .3130 .2809 .0420 .050 .043 .041 .011 .027 .004
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	Sogdianite
	Cooper M A, Hawthorne F C, Grew E S
	American Mineralogist 84 (1999) 764-768
	The crystal chemistry of sogdianite, a milarite-group mineral
	Note: U(1,2) for Li2 changed to match symmetry constraints
	Locality: Dara-i-Pioz, Tadjikistan
	_database_code_amcsd 0002224
	10.053 10.053 14.211 90 90 120 P6/mcc
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	ZrA 1/3 2/3 .25 .38 .0036 .0036 .0047 .0018 0 0
	FeA 1/3 2/3 .25 .365 .0036 .0036 .0047 .0018 0 0
	TiA 1/3 2/3 .25 .19 .0036 .0036 .0047 .0018 0 0
	AlA 1/3 2/3 .25 .065 .0036 .0036 .0047 .0018 0 0
	NaB 1/3 2/3 .0192 .425 .0179 .0179 .0395 .0090 0 0
	KC 0 0 .25 .0187 .0187 .0210 .0093 0 0
	Si1 .11664 .35485 .11056 .0067 .0075 .0066 .0037 .0000 -.0007
	Li2 0 .5 .25 .0133 .0183 .0132 .00915 0 0
	O1 .1325 .3971 0 .0302 .0194 .0073 .0120 0 0
	O2 .2211 .2778 .13506 .0145 .0187 .0194 .0131 -.0015 -.0013
	O3 .16186 .5041 .17134 .0114 .0099 .0126 .0056 -.0016 -.0036
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	Bederite
	Galliski M A, Cooper M A, Hawthorne F C, Cerny P
	American Mineralogist 84 (1999) 1674-1679
	Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina:
	Description and crystal structure
	_database_code_amcsd 0002333
	12.559 12.834 11.714 90 90 90 Pcab
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	P1 .38715 .29998 .23044 .0093 .0071 .0061 .0002 -.0004 -.0008
	P2 .09661 .44479 .25952 .0104 .0072 .0073 -.0002 -.0011 .0004
	P3 .26392 .12462 .47847 .0137 .0070 .0069 -.0005 -.0001 .0000
	Mn1 .14793 .20846 .23362 .51 .0119 .0087 .0128 .0009 .0013 .0020
	Mg1 .14793 .20846 .23362 .31 .0119 .0087 .0128 .0009 .0013 .0020
	Fe1 .14793 .20846 .23362 .16 .0119 .0087 .0128 .0009 .0013 .0020
	Zn1 .14793 .20846 .23362 .02 .0119 .0087 .0128 .0009 .0013 .0020
	Fe2 .33024 .04152 .22862 .78 .0093 .0068 .0062 -.0005 .0000 -.0004
	Mg2 .33024 .04152 .22862 .13 .0093 .0068 .0062 -.0005 .0000 -.0004
	Al2 .33024 .04152 .22862 .09 .0093 .0068 .0062 -.0005 .0000 -.0004
	Mn3' .0098 .2840 .4646 .0089
	Mn3" -.0036 .3062 .4655 .25 .0110
	Mn3'" .0247 .2644 .4611 .13 .0099
	Na .0090 -.0085 -.0162 .10 .0261
	Ca .0090 -.0085 -.0162 .03 .0261
	Ca .26053 .37624 .49935 .0139 .0098 .0088 -.0015 .0001 .0013
	O1 .4925 .2729 .2894 .0119 .0157 .0117 .0025 -.0026 -.0004
	O2 .4053 .3370 .1078 .0177 .0137 .0075 .0014 .0013 .0011
	O3 .3171 .2010 .2272 .0137 .0085 .0165 -.0022 -.0008 -.0013
	O4 .3301 .3849 .3012 .0120 .0114 .0108 .0003 .0010 -.0030
	O5 .1637 .5455 .2561 .0156 .0075 .0127 -.0017 -.0002 .0003
	O6 .1489 .3637 .1815 .0142 .0095 .0132 .0014 .0002 -.0031
	O7 .0918 .4077 .3839 .0211 .0149 .0095 -.0051 -.0029 .0037
	O8 -.0148 .4678 .2101 .0117 .0179 .0163 .0029 -.0029 -.0004
	O9 .1891 .2041 .4213 .0205 .0097 .0110 .0032 .0002 .0010
	O10 .3503 .1893 .5413 .0194 .0150 .0122 -.0070 -.0004 -.0021
	O11 .1997 .0522 .5579 .0179 .0109 .0106 -.0032 -.0006 .0016
	O12 .3227 .0493 .3971 .0235 .0156 .0096 .0065 -.0019 -.0016
	O13 -.0279 .1184 .4910 .0213 .0283 .0148 .0046 .0010 .0062
	H1 .003 .082 .557 .0539
	H2 .002 .081 .425 .0539
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	Obertiite
	Hawthorne F C, Cooper M A, Grice J D, Ottolini L
	American Mineralogist 85 (2000) 236-241
	A new anhydrous amphibole from the Eifel region, Germany:
	Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2
	Note: M1A and M1 are interchanged in the bond length table
	_database_code_amcsd 0002347
	9.776 17.919 5.292 90 104.05 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)
	O1 .1136 .0858 .2176 .0062 .0047 .0091 .0000 .0007 .0005
	O2 .1170 .1652 .7249 .0052 .0128 .0040 .0000 .0001 -.0007
	O3 .1034 0 .7061 .0054 .0127 .0043 0 .0021 0
	O4 .3578 .2508 .7995 .0115 .0068 .0111 .0012 .0005 -.0036
	O5 .3497 .1276 .0805 .0069 .0130 .0075 .0049 .0030 -.0008
	O6 .3461 .1200 .5798 .0084 .0105 .0066 -.0046 .0003 -.0001
	O7 .3434 0 .2996 .0099 .0087 .0138 0 .0051 0
	SiT1 .2836 .08524 .2941 .0058 .0055 .0050 -.0004 .0013 .0008
	SiT2 .2883 .17078 .7985 .0051 .0063 .0040 .0003 .0001 -.0008
	Ti1A 0 .0788 .5 .43 .0094 .0094 .0047 0 .0002 0
	Mn1A 0 .0788 .5 .185 .0094 .0094 .0047 0 .0002 0
	Mg1 0 .0910 .5 .385 .0094 .0094 .0047 0 .0002 0
	Mg2 0 .18172 0 .66 .0077 .0084 .0069 0 .0024 0
	Fe2 0 .18172 0 .325 .0077 .0084 .0069 0 .0024 0
	Al2 0 .18172 0 .015 .0077 .0084 .0069 0 .0024 0
	Mg3 0 0 0 .04 .0068 .0082 .0081 0 .0007 0
	Na4 0 .2738 .5 .92 .0240 .0159 .0253 0 .0160 0
	Fe4 0 .2738 .5 .03 .0240 .0159 .0253 0 .0160 0
	Ca4 0 .2738 .5 .0240 .0159 .0253 0 .0160 0
	KAm .048 .5 .101 .09 .0200
	NaAm .048 .5 .101 .19 .0200
	NaA2 0 .4886 0 .22 .0200
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	Symesite
	Welch M D, Cooper M A, Hawthorne F C, Criddle A J
	American Mineralogist 85 (2000) 1526-1533
	Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and
	crystal structure
	_database_code_amcsd 0002592
	19.727 8.796 13.631 82.21 78.08 100.04 B-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	S .0078 .2544 .1866 .0207 .0452 .0215 .0077 -.0018 -.0074
	Pb1 .82782 .0100 .1516 .0148 .0132 .0193 .0021 -.0028 -.0047
	Pb2 .20839 .5489 .1468 .0165 .0136 .0178 .0037 -.0057 -.0078
	Pb3 .91743 .6592 .1589 .0146 .0194 .0196 .0032 -.0037 -.0088
	Pb4 .74960 .3610 .1582 .0155 .0143 .0177 .0027 -.0041 -.0078
	Pb5 .28295 .1886 .1591 .0146 .0131 .0159 .0017 -.0043 -.0053
	Pb6 .66701 .7222 .1285 .0169 .0151 .0205 .0035 -.0083 -.0075
	Pb7 .37766 .8428 .1443 .0131 .0149 .0211 .0009 -.0014 -.0074
	Pb8 .11177 .8864 .1523 .0150 .0161 .0179 .0021 -.0058 -.0060
	Pb9 .46460 .4403 .1449 .0145 .0149 .0229 .0002 -.0049 -.0026
	Pb10 .56724 .1162 .1439 .0158 .0178 .0221 .0033 -.0063 -.0103
	Cl1 .4486 .1997 .0252 .0204 .0245 .0284 .0020 -.0087 -.0068
	Cl2 .8124 .7275 .0260 .0236 .0274 .0263 .0087 -.0079 -.0113
	Cl3 .6322 .4249 .0121 .0261 .0233 .0310 .0054 -.0084 -.0118
	Cl4 .2739 .9080 .0195 .0257 .0201 .0296 .0035 -.0082 -.0089
	O1 .0321 .1060 .2046 .1036
	O2 .0147 .2892 .0756 .1036
	O3 .0598 .3721 .2150 .1036
	O4 -.0691 .2300 .2296 .1036
	O5 .6821 .5229 .2333 .0164
	O6 .1413 .6865 .2450 .0196
	O7 .5036 .2610 .2351 .0173
	O8 .2157 .3468 .2640 .0158
	O9 .7793 .1482 .2725 .0149
	O10 .6374 .1767 .2498 .0150
	O11 .3256 .9930 .2455 .0145
	O12 .0947 .6320 .0098 .0643
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	Kulanite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 15-19
	Refinement of the crystal structure of kulanite
	Note: occupancies of M1 and M2 have been switched, as agreed upon by the authors, 2006
	_database_code_amcsd 0005343
	9.014 12.074 4.926 90 100.48 90 P2_1/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .54695 .75 .74102 .0081 .0090 .0075 0 .0011 0
	FeM1 .29518 -.11021 .2092 .59 .0078 .0074 .0080 .0001 .0006 -.0006
	MnM1 .29518 -.11021 .2092 .04 .0078 .0074 .0080 .0001 .0006 -.0006
	MgM1 .29518 -.11021 .2092 .31 .0078 .0074 .0080 .0001 .0006 -.0006
	AlM2 .0914 .40046 .1287 .94 .0062 .0063 .0056 -.0004 .0004 0
	FeM2 .0914 .40046 .1287 .06 .0062 .0063 .0056 -.0004 .0004 0
	P1 .1559 .75 .6860 .0066 .0063 .0053 0 .0007 0
	P2 .33261 .44177 .7046 .0067 .0066 .0056 .0004 .0006 .0006
	H1 .117 .228 -.186 .01
	H2 .034 .599 .346 .01
	O1 .2781 .75 .9471 .0089 .0125 .0061 0 -.0007 0
	O2 .2313 .75 .4325 .0109 .0098 .0066 0 .0026 0
	O3 .0595 .6453 .6865 .0107 .0088 .0098 -.0037 .0030 -.0013
	O4 .3679 .5565 .6099 .0132 .0082 .0098 -.0010 .0021 .0024
	O5 .2581 .4521 .9668 .0116 .0141 .0059 -.0009 .0034 -.0009
	O6 .2266 .3810 .4700 .0132 .0115 .0082 -.0008 -.0026 -.0011
	O7 .4737 .3700 .7881 .0080 .0115 .0129 .0038 .0012 .0028
	O8 .1236 .25 .0067 .0125 .0114 .0049 0 .0001 0
	O9 .0593 .5572 .1907 .0111 .0102 .0063 -.0007 .0006 -.0031
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	Wherryite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 373-380
	The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed
	sulfate-silicate with [M(TO4)2] chains
	_database_code_amcsd 0005365
	20.789 5.787 9.142 90 91.24 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)
	Pb1 .1434 0 .2632 .029 .026 .026 0 .004 0
	Pb2 .4739 0 .7061 .028 .031 .021 0 .001 0
	Pb3 .3419 0 .3212 .028 .036 .028 0 -.001 0
	Pb4 0 0 0 .037 .028 .030 0 -.004 0
	Cu .25 .25 0 .025 .021 .022 .002 .003 0
	S1 .2668 0 .6575 .027 .019 .017 0 .004 0
	S2 .4318 .5 .3475 .021 .021 .020 0 .003 0
	Si .3960 0 -.0089 .028 .023 .026 0 .005 0
	O1 .3192 0 .030 .027 .017 .038 0 .009 0
	O2 .3356 0 .615 .041 .032 .032 0 .014 0
	O3 .4173 .216 -.110 .032 .025 .015 .005 .005 0
	O4 .2235 0 .531 .033 .040 .025 0 -.009 0
	O5 .3850 .5 .222 .036 .044 .024 0 -.005 0
	O6 .4351 0 .148 .043 .028 .026 0 .007 0
	O7 .2576 .206 -.251 .038 .036 .019 0 .007 -.001
	O8 .4236 .293 .438 .040 .062 .033 -.006 -.002 .009
	O9 .5036 .5 -.285 .019 .054 .056 0 .003 0
	O10 .3091 .5 -.029 .025 .030 .021 0 -.005 0
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	Fredrikssonite
	Burns P C, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 397-403
	Jahn-Teller-distorted MnO6 octahedra in fredrikssonite, the fourth polymorph
	of Mg2Mn(BO3)O2
	_database_code_amcsd 0005368
	9.198 12.528 2.965 90 90 90 Pbam
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .0057 .0058 .0069 -.0007 0 0
	Mg2 .5 0 .5 .92 .0071 .0054 .0075 .0014 0 0
	Fe2 .5 0 .5 .08 .0071 .0054 .0075 .0014 0 0
	Mg3 .0048 .2800 0 .0062 .0054 .0067 .0009 0 0
	Mn4 .74115 .38458 .5 .78 .0044 .0053 .0054 -.0001 0 0
	Fe4 .74115 .38458 .5 .20 .0044 .0053 .0054 -.0001 0 0
	Al4 .74115 .38458 .5 .02 .0044 .0053 .0054 -.0001 0 0
	B .2782 .3598 .5 .0088 .0073 .0027 -.0006 0 0
	O1 .8536 .0449 .5 .0065 .0076 .0080 .0015 0 0
	O2 .3807 .0786 0 .0069 .0052 .0083 -.0006 0 0
	O3 .6277 .1423 .5 .0058 .0061 .0093 .0001 0 0
	O4 .1130 .1422 0 .0064 .0070 .0082 .0003 0 0
	O5 .8559 .2349 .5 .0065 .0070 .0087 -.0016 0 0
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	Tusionite
	Cooper M A, Hawthorne F C, Novak M
	The Canadian Mineralogist 32 (1994) 903-907
	The crystal structure of tusionite, MnSn(BO3)2,
	a dolomite-structure borate
	_database_code_amcsd 0005417
	4.781 4.781 15.381 90 90 120 R-3
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn 0 0 0 .0072 .0072 .0128 .0036 0 0
	Sn 0 0 .5 .0036 .0036 .0114 .0018 0 0
	B 0 0 .2444 .0062 .0062 .0124 .0031 0 0
	O .2800 -.0155 .2453 .0064 .0080 .0183 .0046 -.0010 -.0017
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	Parakhinite
	Burns P C, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 33-40
	Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula
	_database_code_amcsd 0005427
	5.765 5.765 18.001 90 90 120 P3_2
	atom x y z Uiso
	Pb .3331 .1659 .1883 .0095
	Te .3296 .1661 -.0167 .0003
	Cu1 .833 .659 -.2733 .0012
	Cu2 .326 .660 .0592 .0006
	Cu3 -.177 .660 -.0155 .0005
	O1 .575 .413 -.082 .0010
	O2 .080 .909 -.084 .0027
	O3 .497 .980 -.012 .0036
	O4 .576 .412 .059 .0006
	O5 .118 .364 -.015 .0086
	O6 .076 .911 .058 .0010
	OH7 .561 .916 .134 .0015
	OH8 .081 .413 .132 .0019
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	Khinite
	Burns P C, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 33-40
	Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula
	Note: This mineral is now known as the -3T polytype of khinite,
	formerly known as parakhinite
	_database_code_amcsd 0005428
	5.765 5.765 18.001 90 90 120 P3_2
	atom x y z Uiso
	Pb .3331 .1659 .1883 .0095
	Te .3296 .1661 -.0167 .0003
	Cu1 .833 .659 -.2733 .0012
	Cu2 .326 .660 .0592 .0006
	Cu3 -.177 .660 -.0155 .0005
	O1 .575 .413 -.082 .0010
	O2 .080 .909 -.084 .0027
	O3 .497 .980 -.012 .0036
	O4 .576 .412 .059 .0006
	O5 .118 .364 -.015 .0086
	O6 .076 .911 .058 .0010
	OH7 .561 .916 .134 .0015
	OH8 .081 .413 .132 .0019
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	Claringbullite
	Burns P C, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 633-639
	Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
	_database_code_amcsd 0005432
	6.6733 6.6733 9.185 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)
	Cu1 .5 0 0 .0091 .0088 .0256 .0044 -.0030 -.0061
	Cu2 .3711 .7422 .75 .33 .0086 .0124 .0054 .0062 0 0
	H .125 .875 .868 .0200
	Cl1 2/3 1/3 .75 .0235 .0235 .0247 .0118 0 0
	Cl2 0 0 .75 .0396 .0396 .0515 .0198 0 0
	O1 .2017 .7983 .9082 .0084 .0084 .0138 .0034 -.0017 .0017
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	Guilleminite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1103-1109
	The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure
	_database_code_amcsd 0005466
	7.084 7.293 16.881 90 90 90 P2_1nm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba 0 .0765 0 .0083 .0173 .0376 -.0005 0 0
	U1 .8208 .3912 .5 .0023 .0149 .0151 .0004 0 0
	U2 .3222 .3942 .3917 .0024 .0161 .0117 -.0002 -.0009 .0007
	Se .8302 .3713 .2959 .0073 .0255 .0132 .0007 .0014 .0017
	O1 .840 .146 .5 .0171
	O2 .504 .325 .5 .0113
	O3 .140 .403 .5 .0063
	O4 .298 .363 0 .0289
	O5 .357 .636 .397 .0161
	O6 .303 .147 .385 .0225
	O7 .994 .433 .365 .0261
	O8 .292 .428 .250 .0169
	O9 .655 .364 .362 .0236
	Wat1 .617 .119 0 .0213
	Wat2 .154 .099 .158 .0589
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	Geminite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1111-1118
	The crystal structure of geminite, Cu(AsO3OH)(H2O), a heteropolyhedral sheet
	structure
	Locality: Cap Garone, France
	_database_code_amcsd 0005467
	9.841 10.818 15.733 95.71 90.94 103.11 C-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .49866 .13660 .04077 .0096 .0055 .0153 .0007 .0046 -.0004
	Cu2 .48345 .62955 .45349 .0107 .0070 .0134 -.0002 .0025 .0003
	Cu3 .01012 .60394 .44019 .0097 .0072 .0116 -.0004 .0001 .0019
	Cu4 .02707 .11589 .06574 .0097 .0064 .0096 -.0003 .0026 .0003
	As1 .26543 .82512 .39740 .0070 .0062 .0084 .0006 .0011 .0005
	As2 .24963 .88816 .08837 .0067 .0068 .0087 .0016 .0012 .0012
	As3 .23023 .37903 .40751 .0068 .0089 .0087 .0004 .0008 .0018
	As4 .30803 .33700 .10421 .0066 .0048 .0079 .0009 .0010 .0011
	H1 .248 .868 .263 .0032
	H2 .262 .092 .135 .0032
	H3 .231 .562 .355 .0032
	H4 .284 .367 .246 .0032
	H5 .122 .519 .208 .0050
	H6 .168 .663 .181 .0050
	H7 .092 -.001 .339 .0032
	H8 .125 .122 .305 .0032
	H9 .500 .118 .279 .0032
	H10 .379 .187 .330 .0032
	H11 .430 .610 .221 .0032
	H12 .403 .720 .181 .0032
	O1 .3268 .7021 .3564 .0157 .0098 .0174 .0058 .0047 .0011
	O2 .1242 .7808 .4571 .0107 .0092 .0141 -.0008 .0047 .0008
	O3 .3854 .9373 .4567 .0104 .0103 .0107 -.0008 -.0023 .0007
	O4 .2912 .8134 .1688 .0249 .0207 .0110 .0138 .0028 .0074
	O5 .1219 .7994 .0219 .0095 .0077 .0132 -.0016 -.0014 .0011
	O6 .3881 .9569 .0328 .0093 .0084 .0179 -.0005 .0080 .0009
	O7 .1148 .2967 .4696 .0080 .0072 .0142 -.0020 .0043 .0015
	O8 .3729 .4591 .4655 .0109 .0108 .0190 -.0029 -.0074 .0050
	O9 .2661 .2839 .3237 .0181 .0141 .0106 .0046 .0040 .0013
	O10 .3838 .2163 .1225 .0118 .0085 .0141 .0040 .0029 .0042
	O11 .1454 .2858 .0610 .0083 .0100 .0148 .0002 -.0017 .0058
	O12 .3996 .4445 .0436 .0123 .0058 .0085 -.0012 .0042 .0004
	Oh1 .2046 .8932 .3159 .0210 .0159 .0110 .0084 -.0004 .0005
	Oh2 .1882 .0149 .1364 .0136 .0131 .0135 .0061 .0029 .0001
	Oh3 .1553 .4892 .3635 .0151 .0138 .0171 .0070 .0020 .0059
	Oh4 .2999 .4234 .1998 .0254 .0099 .0088 .0039 .0052 -.0017
	OW1 .0910 .5877 .1824 .0235 .0251 .0294 .0077 -.0022 .0043
	OW2 .0537 .0754 .3401 .0202 .0164 .0165 .0104 .0025 .0010
	OW3 .4376 .1241 .3267 .0203 .0190 .0165 .0086 .0001 .0054
	OW4 .4726 .6672 .1792 .0184 .0141 .0112 .0069 .0048 .0020
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	Mottramite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1119-1124
	The crystal structure of mottramite, and the nature of Cu=Zn solid solution in
	the mottramite-descloizite series
	_database_code_amcsd 0005468
	7.667 6.053 9.316 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 .5 0 0 .0181 .0177 .0127 .0001 .0013 -.0011
	Pb .13186 .25 .17374 .0168 .0276 .0142 0 .0002 0
	V .8778 .75 .1939 .0150 .0145 .0119 0 .0009 0
	H .71 .25 -.02 .0200
	O1 .8847 .507 .2954 .0199 .0172 .0216 -.0054 -.0013 .0011
	O2 .053 .75 .085 .0170 .0299 .0226 0 .0053 0
	O3 .703 .75 .081 .0131 .0184 .0159 0 -.0011 0
	Oh .637 .25 .063 .0211 .0052 .0147 0 -.0016 0
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	Diaboleite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1125-1129
	Diaboleite, Pb2Cu(OH)4Cl2, a defect perovskite structure with stereoactive
	lone-pair behavior of Pb
	_database_code_amcsd 0005469
	5.880 5.880 5.500 90 90 90 P4mm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .5 0 .7298 .0100 .0152 .0165 0 0 0
	Cu 0 0 .0282 .0092 .0092 .0157 0 0 0
	Cl1 0 0 .492 .0234 .0234 .0146 0 0 0
	Cl2 .5 .5 .420 .0287 .0287 .0193 0 0 0
	O .2336 .2336 .966 .0120 .0120 .0226 -.0016 -.0009 -.0009
	H .291 .291 .122 .0100
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	Uvite
	Taylor M C, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1215-1221
	Local charge-compensation in hydroxyl-deficient uvite
	Locality: East Africa
	_database_code_amcsd 0005475
	15.917 15.917 7.189 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 0 .8408 .43 .0178 .0178 .0204 .0089 0 0
	NaX 0 0 .8408 .40 .0178 .0178 .0204 .0089 0 0
	MgY .06148 .93852 .4269 .57 .0048 .0048 .0090 .0015 .0018 -.0018
	AlY .06148 .93852 .4269 .43 .0048 .0048 .0090 .0015 .0018 -.0018
	AlZ .26126 .29749 .4534 .86 .0074 .0073 .0057 .0037 -.0005 .0001
	MgZ .26126 .29749 .4534 .13 .0074 .0073 .0057 .0037 -.0005 .0001
	CrZ .26126 .29749 .4534 .01 .0074 .0073 .0057 .0037 -.0005 .0001
	Si .18986 .19175 .0640 .0057 .0058 .0052 .0027 .0008 .0005
	B .8904 .1096 .6113 .0079 .0079 .0058 .0035 .0003 -.0003
	O1 0 0 .2929 .69 .0129 .0129 .0085 .0065 0 0
	OH1 0 0 .2929 .31 .0129 .0129 .0085 .0065 0 0
	O2 .93958 .06042 .5795 .0129 .0129 .0158 .0093 -.0001 .0001
	O3 .13052 .86948 .5538 .0154 .0154 .0043 .0008 -.0002 .0002
	H3 .1264 .8736 .6876 .0300
	O4 .90697 .09303 -.0087 .0098 .0098 .0105 .0006 -.0011 .0011
	O5 .09146 .90854 -.0292 .0094 .0094 .0105 .0008 -.0004 .0004
	O6 .18417 .19430 .2874 .0114 .0119 .0063 .0066 .0020 .0011
	O7 .28499 .28554 -.0137 .0081 .0092 .0086 .0020 .0012 .0017
	O8 .26962 .20899 .6249 .0099 .0065 .0147 .0040 -.0019 -.0006
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	Ludlockite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 34 (1996) 79-89
	The crystal structure of ludlockite, PbFe4As10O22, the mineral with
	pentameric arsenite groups and orange hair
	_database_code_amcsd 0005479
	10.426 12.074 18.349 101.84 100.21 90.60 A-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .24520 .25922 .74729 .0357 .0171 .0219 -.0009 -.0016 .0051
	Fe1 .4840 .5230 .2627 .0044 .0117 .0138 .0021 .0002 .0025
	Fe2 .2503 .5827 .7475 .0055 .0111 .0118 .0011 -.0007 .0038
	Fe3 .0194 .5144 .2413 .0059 .0103 .0141 .0004 -.0009 .0027
	Fe4 .2521 .3460 .2532 .0060 .0104 .0154 .0004 -.0018 .0033
	As1 .1716 .6192 .92339 .0084 .0132 .0117 -.0002 -.0007 .0015
	As2 .2372 .4978 .12130 .0099 .0144 .0127 -.0002 .0015 .0043
	As3 .4370 .5037 .90356 .0077 .0155 .0143 .0031 -.0010 .0055
	As4 .4903 .2600 .13975 .0070 .0106 .0135 -.0010 -.0009 .0006
	As5 .0327 .3808 .90857 .0107 .0175 .0174 .0006 -.0021 .0081
	As6 .4586 .7718 .09138 .0104 .0156 .0165 .0009 -.0034 -.0010
	As7 .0551 .4156 .59003 .0071 .0148 .0131 -.0002 -.0006 -.0005
	As8 .3326 .5032 .57116 .0118 .0151 .0114 .0017 -.0007 .0035
	As9 .0032 .8215 .85918 .0068 .0124 .0113 .0021 -.0015 .0031
	As10 .2686 .5870 .38155 .0102 .0165 .0110 .0032 .0007 .0010
	O1 .1310 .5901 .8215 .0181 .0136 .0071 -.0040 -.0024 -.0013
	O2 .3493 .4862 .3212 .0024 .0114 .0117 -.0017 -.0014 -.0031
	O3 .1562 .1994 .1976 .0096 .0089 .0128 .0026 -.0002 .0019
	O4 .3676 .5415 .6720 .0071 .0151 .0154 .0002 -.0004 -.0017
	O5 .1162 .4554 .6911 .0101 .0174 .0111 -.0038 -.0016 .0035
	O6 .0905 .3885 .3038 .0089 .0167 .0133 .0039 -.0020 .0097
	O7 .4110 .3597 .2002 .0071 .0082 .0178 .0046 .0016 -.0003
	O8 .3470 .7297 .8059 .0121 .0076 .0143 .0030 -.0068 .0017
	O9 .3790 .4892 .8051 .0104 .0180 .0110 .0005 -.0067 .0057
	O10 .2067 .8945 .0602 .0057 .0182 .0178 .0006 -.0015 -.0051
	O11 .1468 .6236 .3122 .0032 .0133 .0256 -.0011 -.0051 .0052
	O12 .4408 .3279 .6851 .0249 .0193 .0084 -.0033 .0002 -.0014
	O13 .2867 .5113 .9351 .0089 .0249 .0217 .0095 .0087 .0078
	O14 .3631 .2171 .8860 .0047 .0195 .0318 -.0024 -.0080 -.0042
	O15 .0439 .3668 .8123 .0275 .0212 .0237 .0083 .0029 .0131
	O16 .0419 .5346 .9390 .0150 .0218 .0127 -.0022 -.0002 .0065
	O17 .4511 .9014 .0538 .0123 .0184 .0209 .0074 .0099 .0013
	O18 .4783 .6521 .9242 .0177 .0168 .0211 -.0044 .0037 .0114
	O19 .1546 .4398 .1854 .0077 .0183 .0101 .0018 -.0015 .0026
	O20 .1440 .6248 .1108 .0087 .0259 .0309 .0009 -.0007 .0197
	O21 .3577 .5858 .1911 .0067 .0163 .0181 -.0036 -.0008 .0070
	O22 .0326 .5554 .5752 .0254 .0191 .0129 .0019 .0046 .0054
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	Shigaite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 34 (1996) 91-97
	The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a
	hydrotalcite-group mineral
	_database_code_amcsd 0005480
	9.512 9.512 33.074 90 90 120 R-3
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn -.0011 .3336 .16671 .0066 .0062 .0261 .0031 .0003 .0008
	Al1 0 0 .16475 .0054 .0054 .0118 .0027 0 0
	Al2 1/3 2/3 1/6 .0050 .0050 .0146 .0025 0 0
	Na 0 0 0 .0336 .0336 .0324 .0168 0 0
	S 2/3 1/3 .03822 .0181 .0181 .0184 .0091 0 0
	H1 .584 .156 .1082 .02
	H2 .193 .109 .1052 .02
	H3 .197 .475 .1087 .02
	H4 .172 .507 .035 .07
	H5 .004 .394 .054 .07
	H6 .172 .262 .055 .07
	H7 .320 .242 .045 .07
	O1 1/3 2/3 .0063 .0342 .0342 .0118 .0171 0 0
	O2 .6144 .1690 .0535 .0373 .0189 .0322 .0138 .0023 .0028
	Oh1 .5705 .1373 .1374 .0114 .0072 .0112 .0046 .0009 -.0008
	Oh2 .1979 .0984 .1346 .0072 .0101 .0146 .0037 .0021 .0014
	Oh3 .2336 .4698 .1361 .0125 .0092 .0125 .0057 .0002 -.0002
	OW1 .1180 .4236 .0556 .0280 .0381 .0302 .0165 .0034 .0077
	OW2 .2036 .1794 .0501 .0245 .0297 .0384 .0122 .0018 -.0013
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	Rapidcreekite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 34 (1996) 99-106
	The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4,
	and its relation to the structure of gypsum
	_database_code_amcsd 0005481
	15.517 19.226 6.1646 90 90 90 Pcnb
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .3341 .2896 .2009 .0129 .0106 .0140 .0001 .0005 -.0005
	Ca2 .3276 .0533 .1883 .0133 .0098 .0149 -.0003 .0004 -.0002
	S .1688 .4193 .0268 .0140 .0099 .0143 -.0020 -.0013 -.0021
	C .1914 .1739 .431 .0106 .0113 .0120 .0039 -.0024 -.0012
	O1 .2247 .3589 .050 .0180 .0158 .0250 .0080 -.0069 .0032
	O2 .2137 .2329 .357 .0185 .0090 .0175 -.0069 .0051 .0002
	O3 .3898 .4039 .343 .0162 .0129 .0246 -.0027 .0040 -.0034
	O4 .3712 .1714 .0735 .0165 .0118 .0171 .0008 -.0029 -.0037
	O5 .2286 .1168 .383 .0184 .0109 .0216 .0007 .0088 .0029
	O6 .2810 .4830 .484 .0235 .0103 .0160 .0023 -.0063 .0000
	O7 .1181 .4321 .222 .0203 .0202 .0158 -.0025 .0065 .0001
	Wat1 .0894 .2389 .013 .0186 .0231 .0248 -.0032 -.0004 -.0014
	Wat2 .0478 .3236 .466 .0181 .0307 .0257 -.0052 -.0079 .0046
	Wat3 .0746 .0196 .397 .0173 .0211 .0162 -.0053 -.0060 .0018
	Wat4 .4341 .0914 .469 .0140 .0233 .0226 -.0016 -.0025 .0022
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	Keyite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 34 (1996) 623-630
	The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral
	with essential cadmium
	_database_code_amcsd 0005498
	11.654 12.780 6.840 90 99.11 90 I2/a
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .75 .25 .25 .5 .0076 .0156 .0254 .0052 .0024 -.0083
	Cu2 .25 .2402 0 .0048 .0068 .0279 0 .0000 0
	Zn .5246 .0928 .1583 .0055 .0049 .0234 .0001 .0019 -.0012
	Cd .75 .4964 0 .0038 .0093 .0274 0 -.0008 0
	As1 .25 .0277 0 .0030 .0064 .0222 0 .0036 0
	As2 .5057 .3638 .1414 .0034 .0034 .0204 -.0003 .0014 -.0013
	O1 .975 .065 .147 .0102
	O2 .570 .246 .188 .0134
	O3 .350 .122 .090 .0145
	O4 .931 .419 .041 .0118
	O5 .708 .045 .184 .0151
	O6 .362 .350 .063 .0122
	Wat .75 .268 .023 .0120
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	Spiroffite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 34 (1996) 821-826
	The crystal structure of spiroffite
	Locality: Moctezuma, Sonora, Mexico
	_database_code_amcsd 0005504
	12.870 5.3813 11.888 90 98.22 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te1 .5 .36091 .25 .0092 .0106 .0105 0 .0014 0
	Te2 .13776 .18589 .05780 .0096 .0111 .0082 .0017 .0008 -.0006
	Mn .22883 .1987 .35050 .0108 .0098 .0097 -.0015 .0018 -.0006
	O1 .0754 .0761 .3532 .0121 .0271 .0121 -.0052 .0030 -.0030
	O2 .3846 .3853 .3583 .0131 .0117 .0144 -.0011 .0067 -.0029
	O3 .2613 .0158 .0289 .0107 .0127 .0113 .0013 .0046 .0023
	O4 .1961 .3612 .1872 .0219 .0126 .0083 -.0025 .0013 -.0013
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	Schoepite
	Finch R J, Cooper M A, Hawthorne F C, Ewing R C
	The Canadian Mineralogist 34 (1996) 1071-1088
	The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12
	_database_code_amcsd 0005517
	14.337 16.813 14.731 90 90 90 P2_1ca
	atom x y z Uiso
	U1 .2591 .5132 .7583 .0111
	U2 .0276 .3775 .7628 .0136
	U3 .2792 .7451 .7474 .0123
	U4 -.0008 .6127 .7497 .0122
	U5 .2797 .0134 .7406 .0100
	U6 .0117 .8772 .7631 .0071
	U7 .2607 .2450 .7520 .0084
	U8 .0398 .1132 .7500 .0084
	O1 .2786 .5016 .6402 .0150
	O2 .2473 .5218 .8791 .0077
	O3 .0229 .3409 .6490 .0160
	O4 .0302 .4156 .8724 .0109
	O5 .2344 .7381 .6367 .0215
	O6 .3262 .7618 .8593 .0113
	O7 .0162 .6487 .6383 .0429
	O8 -.0041 .5815 .8689 .0099
	O9 .3063 .0221 .6248 .0198
	O10 .2575 -.0092 .8559 .0236
	O11 .0124 .9067 .8803 .0142
	O12 .0057 .8446 .6484 .0151
	O13 .2249 .2533 .6364 .0256
	O14 .2980 .2352 .8685 .0182
	O15 .0431 .0800 .8616 .0203
	O16 .0345 .1425 .6332 .0063
	O17 -.1530 .6265 .7408 .0103
	O18 .1985 .1205 .7619 .0103
	OH1 .3412 .8803 .7036 .0094
	OH2 .4180 .4814 .7885 .0111
	OH3 .1612 .6457 .7802 .0123
	OH4 .1578 .8270 .7948 .0141
	OH5 -.0372 .7429 .7985 .0084
	OH6 .1026 .5020 .7041 .0087
	OH7 .2083 .3751 .7845 .0094
	OH8 .1222 -.0209 .7053 .0111
	OH9 .3835 .1501 .7099 .0123
	OH10 .3881 .3213 .6980 .0141
	OH11 .0907 .2490 .8053 .0084
	OH12 .4422 -.0010 .7811 .0087
	Wat1 .3221 -.1226 .5227 .0291
	Wat2 .4091 .5197 .4790 .0189
	Wat3 .1703 .3499 .4761 .0169
	Wat4 .1874 .1324 .4837 .0276
	Wat5 .4822 .7469 .5139 .0420
	Wat6 .1038 .5038 .5341 .0209
	Wat7 .2434 .6184 .4811 .0330
	Wat8 .1451 -.0423 .5225 .0501
	Wat9 .3871 .1600 .5295 .0456
	Wat10 .3595 .3528 .5145 .0329
	Wat11 .0895 .7612 .4862 .0493
	Wat12 .4307 .0066 .4664 .0194
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	Wicksite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 35 (1997) 777-784
	The crystal structure of wicksite
	_database_code_amcsd 0005528
	12.524 12.907 11.646 90 90 90 Pcab
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	P1 .39144 .30143 .22496 .0074 .0079 .0068 -.0001 -.0001 -.0006
	P2 .10100 .44304 .25356 .0079 .0072 .0071 .0001 -.0002 -.0001
	P3 .26745 .12409 .47592 .0102 .0069 .0081 -.0001 -.0010 -.0001
	FeM1 .15443 .20669 .22665 .78 .0085 .0083 .0105 .0006 .0009 .0011
	MgM1 .15443 .20669 .22665 .21 .0085 .0083 .0105 .0006 .0009 .0011
	FeM2 .33291 .04305 .22587 .64 .0073 .0072 .0070 .0006 -.0001 -.0003
	MgM2 .33291 .04305 .22587 .27 .0073 .0072 .0070 .0006 -.0001 -.0003
	AlM2 .33291 .04305 .22587 .09 .0073 .0072 .0070 .0006 -.0001 -.0003
	FeM3 .02571 .26873 .45508 .70 .0207 .0138 .0100 -.0071 -.0024 .0002
	MnM3 .02571 .26873 .45508 .30 .0207 .0138 .0100 -.0071 -.0024 .0002
	Ca .26395 .37404 .49346 .0120 .0117 .0103 -.0014 -.0012 .0016
	Na 0 0 0 .0232 .0372 .0392 .0072 -.0047 .0226
	H1 .013 .085 .549 .0700
	H2 -.007 .074 .421 .0700
	O1 .4989 .2754 .2820 .0086 .0144 .0114 .0017 -.0020 -.0003
	O2 .4092 .3380 .1008 .0145 .0138 .0073 .0015 .0016 .0011
	O3 .3216 .2027 .2215 .0105 .0122 .0164 -.0024 -.0002 -.0001
	O4 .3358 .3850 .2973 .0103 .0139 .0110 .0015 .0007 -.0037
	O5 .1660 .5444 .2551 .0163 .0078 .0132 -.0027 .0008 .0006
	O6 .1550 .3625 .1765 .0113 .0099 .0088 .0006 .0006 -.0015
	O7 .0938 .4034 .3784 .0144 .0116 .0072 .0005 .0006 .0011
	O8 -.0097 .4660 .2013 .0122 .0193 .0155 .0049 -.0025 .0003
	O9 .1923 .2033 .4165 .0139 .0100 .0114 .0023 -.0005 .0016
	O10 .3527 .1897 .5400 .0162 .0144 .0125 -.0054 -.0019 -.0022
	O11 .2009 .0519 .5539 .0165 .0088 .0126 -.0031 -.0012 .0016
	O12 .3297 .0509 .3959 .0184 .0152 .0127 .0087 -.0034 -.0037
	O13 -.0276 .1165 .4864 .0186 .0143 .0124 .0020 .0002 .0017
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	Marshite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 35 (1997) 785-786
	A note on the crystal structure of marshite
	Note: ZnS structure, sphalerite structure
	_database_code_amcsd 0005529
	6.063 6.063 6.063 90 90 90 F-43m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu .25 .25 .25 .0336 .0336 .0336 0 0 0
	I 0 0 0 .0194 .0194 .0194 0 0 0
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	Burangaite
	Selway J B, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 35 (1997) 1515-1522
	Refinement of the crystal structure of burangaite
	_database_code_amcsd 0005534
	25.099 5.0491 13.438 90 110.88 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 -.1475 .25 .0110 .0190 .0122 0 .0046 0
	Al1 0 0 0 .0052 .0069 .0063 .0001 .0021 -.0004
	Fe2 .25 .25 0 .0053 .0068 .0059 -.0046 .0008 -.0003
	Al3 .15172 -.0184 .10937 .0051 .0057 .0047 -.0003 .0019 -.0004
	Al4 .14090 -.2243 .35101 .0051 .0045 .0043 .0008 .0018 .0002
	P1 .21594 .2660 .32744 .0046 .0043 .0045 -.0001 .0017 -.0001
	P2 .08058 .2752 .39430 .0049 .0047 .0055 .0000 .0022 .0002
	H5 .153 .392 .018 .05
	H8 .145 -.423 .195 .05
	H11 .079 .231 .130 .05
	H12a .004 -.457 .098 .05
	H12b .0630 -.29 .134 .05
	O1 .09188 .0558 .3256 .0084 .0063 .0082 .0018 .0027 -.0009
	O2 .07990 .5443 .3412 .0075 .0056 .0081 -.0003 .0029 .0018
	O3 .02109 .2212 .4013 .0057 .0096 .0109 -.0004 .0045 .0021
	O4 .12559 .2796 .5061 .0089 .0070 .0056 -.0012 .0012 .0007
	O5 .16661 .2148 .0085 .0085 .0083 .0073 .0003 .0045 -.0002
	O6 .20824 .0037 .3798 .0074 .0067 .0077 -.0002 .0020 .0022
	O7 .19596 -.5027 .3816 .0078 .0063 .0077 .0010 .0028 -.0018
	O8 .12955 -.2502 .2046 .0079 .0071 .0062 .0001 .0033 .0005
	O9 .17616 .2552 .2105 .0087 .0076 .0058 .0003 .0013 -.0005
	O10 .22232 -.1896 .1574 .0065 .0103 .0125 .0015 .0042 .0019
	O11 .07453 .1270 .0660 .0055 .0077 .0106 -.0002 .0019 -.0012
	O12 .02132 -.2822 .1022 .0082 .0100 .0104 -.0003 .0030 .0020
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	Tadzhikite-(Ce)
	Hawthorne F C, Cooper M A, Taylor M C
	The Canadian Mineralogist 36 (1998) 817-822
	Refinement of the crystal structure of tadzhikite
	Locality: Dara-i-Pioz, Tadzhikistan
	_database_code_amcsd 0005547
	19.058 4.729 10.321 90 111.39 90 P2/a
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .1025 .4847 .6480 .020 .019 .028 .013 0 .006 0
	Si2 .3870 .4963 .8365 .020 .019 .027 .012 .001 .006 0
	Ti 0 0 0 .56 .022 .019 .030 .014 .001 .002 -.003
	Fe 0 0 0 .30 .022 .019 .030 .014 .001 .002 -.003
	Al 0 0 0 .07 .022 .019 .030 .014 .001 .002 -.003
	Mn 0 0 0 .04 .022 .019 .030 .014 .001 .002 -.003
	B1 .1724 .5238 .4515 .017 .015 .027 .009 .002 .004 .001
	B2 .2465 .4582 .8650 .015 .017 .022 .008 .001 .005 .004
	Ca1 .2521 .0011 .3402 .021 .022 .029 .011 0 .007 .001
	Ca2 .3443 .9615 .0703 .43 .020 .017 .030 .013 0 .007 -.001
	Y2 .3443 .9615 .0703 .45 .020 .017 .030 .013 0 .007 -.001
	Na2 .3443 .9615 .0703 .12 .020 .017 .030 .013 0 .007 -.001
	Ce1 .0385 .0147 .3593 .18 .011
	Nd1 .0385 .0147 .3593 .09 .011
	La1 .0385 .0147 .3593 .04 .011
	Dy1 .0385 .0147 .3593 .03 .011
	Pr1 .0385 .0147 .3593 .02 .011
	Gd1 .0385 .0147 .3593 .02 .011
	Sm1 .0385 .0147 .3593 .02 .011
	Er1 .0385 .0147 .3593 .01 .011
	Ce2 -.0475 .0809 .6369 .03 .011
	Nd2 -.0475 .0809 .6369 .02 .011
	La2 -.0475 .0809 .6369 .01 .011
	Ce3 .0371 .1225 .3585 .03 .011
	Nd3 .0371 .1225 .3585 .01 .011
	La3 .0371 .1225 .3585 .01 .011
	Ce4 .0474 .0230 .3628 .17 .011
	Nd4 .0474 .0230 .3628 .08 .011
	La4 .0474 .0230 .3628 .04 .011
	Dy4 .0474 .0230 .3628 .03 .011
	Pr4 .0474 .0230 .3628 .02 .011
	Gd4 .0474 .0230 .3628 .02 .011
	Sm4 .0474 .0230 .3628 .02 .011
	Er4 .0474 .0230 .3628 .01 .011
	O1 .4567 .2525 .4341 .20 .026 .030 .032 .016 .005 .009 .002
	OH1 .4567 .2525 .4341 .80 .026 .030 .032 .016 .005 .009 .002
	O2 .3226 .3155 .2430 .027 .024 .034 .020 0 .006 .002
	O3 .0719 .7002 .7329 .35 .030 .029 .036 .020 .010 .005 -.001
	OH3 .0719 .7002 .7329 .65 .030 .029 .036 .020 .010 .005 -.001
	O4 .1329 .6660 .5416 .80 .026 .029 .032 .021 -.001 .013 .002
	OH4 .1329 .6660 .5416 .20 .026 .029 .032 .021 -.001 .013 .002
	O5 .4619 .1964 .1308 .031 .032 .043 .019 .007 .011 .003
	O6 .2537 .7545 .1398 .027 .029 .036 .019 .002 .011 .002
	O7 .1673 .2288 .4473 .35 .026 .022 .037 .017 -.004 .006 0
	OH7 .1673 .2288 .4473 .65 .026 .022 .037 .017 -.004 .006 0
	O8 .1330 .6713 .3096 .65 .030 .036 .035 .014 .002 .004 .002
	OH8 .1330 .6713 .3096 .35 .030 .036 .035 .014 .002 .004 .002
	O9 .3125 .3286 .8392 .029 .025 .037 .028 -.004 .013 -.005
	O10 .0864 .7294 .0431 .027 .022 .038 .020 .002 .007 .003
	O11 .0538 .2578 .1584 .65 .028 .028 .038 .018 -.010 .008 -.001
	OH11 .0538 .2578 .1584 .35 .028 .028 .038 .018 -.010 .008 -.001
	O12 .25 .3315 0 .029 .037 .038 .010 0 .008 0
	O13 .25 .6494 .5 .027 .025 .032 .024 0 .010 0
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	Blatterite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1171-1193
	The crystal structure of blatterite, Sb3(Mn,Fe)9(Mn,Mg)35(BO3)16O32,
	and structural hierarchy in Mn-bearing zigzag borates
	_database_code_amcsd 0005563
	37.654 12.615 6.2472 90 90 90 Pnnm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sb1 0 0 0 .0060 .0063 .0055 .0062 .0012 0 0
	Sb2 .37486 .28738 .5 .0066 .0066 .0056 .0075 -.0004 0 0
	Mn1 0 .5 0 .90 .0061 .0054 .0062 .0066 .0005 0 0
	Al1 0 .5 0 .10 .0061 .0054 .0062 .0066 .0005 0 0
	Mn2 .25239 .0645 0 .0069 .0055 .0086 .0067 -.0003 0 0
	Mn3 .06329 .3952 0 .91 .0069 .0076 .0050 .0081 .0012 0 0
	Al3 .06329 .3952 0 .09 .0069 .0076 .0050 .0081 .0012 0 0
	Mn4 .18948 .1832 0 .0074 .0089 .0064 .0070 .0016 0 0
	Mn5 .12551 .2853 0 .0068 .0043 .0086 .0077 .0022 0 0
	MnM1 .25299 .0646 .5 .0103 .0114 .0106 .0089 -.0038 0 0
	MnM2 .5 .5 0 .52 .0087 .0088 .0095 .0077 -.0010 0 0
	MgM2 .5 .5 0 .48 .0087 .0088 .0095 .0077 -.0010 0 0
	MnM3 .37460 .2875 0 .62 .0079 .0070 .0092 .0074 -.0024 0 0
	MgM3 .37460 .2875 0 .38 .0079 .0070 .0092 .0074 -.0024 0 0
	MnM4 .18903 .4059 .2513 .69 .0084 .0101 .0062 .0089 -.0010 -.0004 .0007
	MgM4 .18903 .4059 .2513 .31 .0084 .0101 .0062 .0089 -.0010 -.0004 .0007
	MnM5 .06157 .1724 .2499 .52 .0080 .0079 .0064 .0098 -.0009 -.0006 -.0003
	MgM5 .06157 .1724 .2499 .48 .0080 .0079 .0064 .0098 -.0009 -.0006 -.0003
	MnM6 .31388 .4598 .2535 .50 .0089 .0100 .0075 .0091 .0008 -.0005 -.0008
	MgM6 .31388 .4598 .2535 .50 .0089 .0100 .0075 .0091 .0008 -.0005 -.0008
	MnM7 .43639 .1159 .2478 .58 .0084 .0084 .0074 .0096 .0016 .0005 .0008
	MgM7 .43639 .1159 .2478 .42 .0084 .0084 .0074 .0096 .0016 .0005 .0008
	MnM8 .31042 .1827 .2438 .41 .0076 .0066 .0077 .0085 -.0008 .0003 .0001
	MgM8 .31042 .1827 .2438 .59 .0076 .0066 .0077 .0085 -.0008 .0003 .0001
	MnM9 .43673 .3959 .2413 .21 .0076 .0080 .0064 .0084 -.0012 -.0007 -.0003
	MnM9 .43673 .3959 .2413 .79 .0076 .0080 .0064 .0084 -.0012 -.0007 -.0003
	MnX1 .1874 .1799 .5 .0098 .0138 .0061 .0094 -.0021 0 0
	MnX2 .178 .187 .5 .0098 .0138 .0061 .0094 -.0021 0 0
	MnX3 .1207 .3019 .5 .0190 .0225 .0275 .0070 -.0197 0 0
	MnX4 .0274 .4086 .5 .0268 .0533 .0203 .0069 -.0186 0 0
	MnX5 .0526 .3994 .5 .0294 .0708 .0087 .0086 .0015 0 0
	MnX6 .1036 .366 .5 .0353 .0540 .0498 .0021 -.0489 0 0
	MnX7 .0092 .469 .5 .0372 .0273 .0768 .0074 -.0455 0 0
	B1 .4914 .2568 0 .0069
	B2 .4928 .2566 .5 .0069
	B3 .3677 .0440 .5 .0069
	B4 .3682 .0426 0 .0069
	B5 .2587 .3295 0 .0069
	B6 .2559 .3202 .5 .0069
	B7 .1181 .0313 0 .0069
	B8 .1172 .0397 .5 .0069
	O1 .2764 .2345 0 .0136
	O2 .2748 .2274 .5 .0086
	O3 .3508 -.0529 0 .0130
	O4 .3484 -.0481 .5 .0086
	O5 .0989 .1337 .5 .0098
	O6 .0987 .1233 0 .0109
	O7 .2195 .3212 .5 .0071
	O8 .2224 .3342 0 .0095
	O9 .0986 -.0538 .5 .0081
	O10 .1003 -.0635 0 .0084
	O11 .5278 .2587 0 .0101
	O12 .5292 .2555 .5 .0096
	O13 .1544 .0312 0 .0101
	O14 .1535 .0377 .5 .0095
	O15 .4046 .0445 0 .0119
	O16 .4041 .0446 .5 .0106
	O17 .3415 .3213 .269 .0053
	O18 .4089 .2570 .269 .0058
	O19 .2747 .4132 .5 .0101
	O20 .2784 .4209 0 .0081
	O21 .1606 .2549 .218 .0088
	O22 .3498 .1363 0 .0092
	O23 .3503 .1393 .5 .0100
	O24 .0900 .3203 .212 .0089
	O25 .2843 .0422 .230 .0070
	O26 .0352 .4679 .209 .0087
	O27 .4724 .3493 0 .0086
	O28 .4755 .3522 .5 .0077
	O29 .0336 .0329 .231 .0077
	O30 .2147 .1066 .219 .0088
	O31 .4735 .1645 .5 .0094
	O32 .4742 .1611 0 .0139
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	Tienshanite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1305-1310
	Refinement of the crystal structure of tienshanite: short-range-order
	constraints on chemical composition
	_database_code_amcsd 0005580
	16.785 16.785 10.454 90 90 120 P6/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .18579 .50676 0 .0136 .0157 .0131 .0113 .0068 0 0
	Ti1 .34879 .41959 0 .0041
	Ti2 .3746 .4342 0 .0041
	Mn .13608 .22088 0 .0100 .0116 .0087 .0062 0 0
	Ca 1/3 2/3 .5 .0056 .0056 .0049 .0028 0 0
	K 0 0 .5 .0237 .0237 .0222 .0118 0 0
	Na1 .5180 .5 .5 .0164
	Na2 .1875 .3419 .5 .0176 .0234 .0194 .0052 0 0
	Si1 .32540 .50460 .27216 .0065 .0066 .0059 .0036 -.0004 -.0009
	Si2 .36326 .34795 .28635 .0073 .0068 .0076 .0042 -.0008 .0002
	Si3 .19159 .16323 .28020 .0081 .0072 .0083 .0044 -.0002 -.0000
	B .1763 .5125 .3728 .0063 .0065 .0048 .0025 .0003 -.0001
	O1 .5 .5 0 .0071 .0113 .0248 .0018 0 0
	O2 .3718 .3513 .1332 .0168 .0116 .0064 .0095 -.0007 .0001
	O3 .0445 .2890 .3381 .0144 .0102 .0132 .0075 -.0021 -.0012
	O4 .3611 .5147 .1267 .0145 .0101 .0073 .0068 .0015 -.0006
	O5 .3248 .4150 .3381 .0159 .0131 .0091 .0114 .0020 .0020
	O6 .0770 .4598 .3582 .0073 .0090 .0112 .0037 -.0004 -.0026
	O7 .2275 .3586 0 .0106 .0161 .0223 .0067 0 0
	O8 .1877 .1605 .1287 .0156 .0145 .0087 .0096 -.0001 -.0005
	O9 .2079 .6126 .3576 .0111 .0051 .0106 .0032 -.0029 .0004
	O10 .2201 .4850 .2731 .0065 .0125 .0079 .0053 -.0006 -.0027
	O11 .5011 .2931 .5 .0099 .0081 .0047 .0048 0 0
	O12 .1785 .0681 .3431 .0198 .0099 .0118 .0083 -.0007 -.0005
	F 1/3 2/3 0 .0135 .0135 .0390 .0067 0 0
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	Vuonnemite
	Ercit T S, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1311-1320
	The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
	a phosphate-bearing sorosilicate of the lomonosovite group
	Locality: Ilimaussaq, Greenland
	_database_code_amcsd 0005581
	5.4984 7.161 14.450 92.60 95.30 90.60 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)
	Si1 .18415 .21928 .69712 .0064 .0048 .0072 .0000 .0009 .0000
	Si2 .19844 .79366 .68464 .0064 .0049 .0070 .0002 .0009 .0005
	P .31392 .25633 .06638 .0086 .0073 .0073 .0000 .0010 -.0005
	Nb .30112 .49172 .28387 .0050 .0057 .0063 .0003 .0009 .0003
	Ti .97235 .00088 .50786 .0058
	Na1 .1832 .9821 .8997 .0251 .0158 .0192 .0036 .0009 -.0004
	Na2 .1953 .5079 .8660 .0232 .0138 .0171 -.0025 -.0036 -.0009
	Na3 .4945 .2406 .5010 .0119 .0154 .0200 -.0037 .0079 -.0060
	Na4 .7053 .9926 .7358 .0188 .0205 .0142 -.0005 .0021 .0004
	Na5 .2493 .7369 .0803 .0271 .0154 .0200 .0015 .0046 .0037
	Na6 0 .5 .5 .0179 .0194 .0203 -.0028 .0071 -.0021
	O1 .4349 .3235 .7427 .0106 .0130 .0126 -.0046 .0006 .0007
	O2 .2036 .0057 .7350 .0180 .0058 .0099 .0016 .0016 .0000
	O3 .1614 .8017 .5738 .0131 .0099 .0072 .0019 .0008 .0007
	O4 .4602 .7099 .7190 .0101 .0122 .0147 .0053 -.0015 -.0002
	O5 .0518 .6964 .2550 .0100 .0104 .0110 .0039 .0024 -.0002
	O6 .3231 .5156 .4057 .0142 .0183 .0086 .0001 .0018 -.0005
	O7 .2563 .4304 .1302 .0144 .0079 .0092 .0014 .0022 -.0009
	O8 .2369 .0734 .1081 .0217 .0087 .0156 -.0024 .0039 .0010
	O9 .1602 .2094 .5855 .0114 .0100 .0081 -.0009 .0008 -.0001
	O10 .4118 .7422 .9434 .0087 .0168 .0212 .0003 .0044 -.0034
	O11 .1710 .2745 .9710 .0247 .0157 .0103 .0022 -.0057 -.0012
	O12 .0173 .3163 .2722 .0116 .0144 .0142 .0062 .0029 .0022
	O13 .2687 .0024 .4230 .0175 .0201 .0171 -.0007 .0032 .0002
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	Vuonnemite
	Ercit T S, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1311-1320
	The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
	a phosphate-bearing sorosilicate of the lomonosovite group
	Locality: Lovozero, Kola Peninsula, Russia
	_database_code_amcsd 0005582
	5.4970 7.1630 14.437 92.55 95.30 90.61 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .18446 .21937 .69737 .0081 .0067 .0088 .0002 .0008 .0001
	Si2 .19918 .79300 .68471 .0078 .0068 .0083 .0002 .0008 .0005
	P .31393 .25693 .06612 .0105 .0090 .0092 .0002 .0012 -.0007
	Nb .30111 .49199 .28413 .0070 .0079 .0086 .0001 .0008 .0005
	Ti .97299 .00048 .50810 .0082 .0082 .0064 -.0004 .0006 .0009
	Na1 .1837 .9822 .89983 .0261 .0174 .0203 .0037 .0008 -.0007
	Na2 .1936 .5082 .86520 .0302 .0163 .0208 -.0020 -.0036 -.0012
	Na3 .4945 .2418 .50112 .0159 .0199 .0256 -.0042 .0087 -.0065
	Na4 .7060 .9918 .73624 .0203 .0242 .0159 -.0055 .0015 -.0003
	Na5 .2507 .7368 .08094 .0320 .0162 .0214 .0020 .0057 .0035
	Na6 0 .5 .5 .0181 .0209 .0223 -.0031 .0069 -.0023
	O1 .4355 .3240 .74295 .0123 .0155 .0138 -.0059 .0003 -.0000
	O2 .2034 .0048 .73487 .0201 .0058 .0107 .0015 .0007 .0004
	O3 .1624 .8012 .57348 .0161 .0112 .0086 .0010 .0004 .0012
	O4 .4615 .7095 .71855 .0115 .0143 .0173 .0052 -.0020 -.0010
	O5 .0526 .6962 .25513 .0110 .0123 .0136 .0038 .0026 -.0004
	O6 .3242 .5166 .40636 .0157 .0218 .0106 .0000 .0021 -.0011
	O7 .2552 .4307 .13009 .0169 .0100 .0109 .0016 .0028 -.0009
	O8 .2370 .0730 .10740 .0248 .0100 .0173 -.0029 .0042 .0012
	O9 .1610 .2093 .58525 .0145 .0111 .0088 -.0008 .0008 .0003
	O10 .4113 .7415 .94321 .0119 .0188 .0237 .0007 .0054 -.0021
	O11 .1729 .2752 .97009 .0273 .0175 .0133 .0014 -.0067 -.0008
	O12 .0176 .3174 .27290 .0141 .0174 .0165 -.0068 .0028 .0024
	O13 .2699 .0026 .42335 .0165 .0184 .0130 -.0015 .0028 .0007
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	Jamesite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 53-60
	Local Pb-_ disorder in the crystal structure of jamesite,
	Pb2ZnFe2(Fe2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O.8], and revision of the chemical formula
	_database_code_amcsd 0005590
	5.583 9.542 10.219 109.81 90.57 97.71 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)
	Pb1a .0601 .7276 .4179 .0246 .0295 .0282 .0180 .0123 -.0020 .0073
	Pb1b .147 .754 .3972 .0508 .0681 .0639 .0314 .0405 .0246 .0184
	As1 .2083 .6789 .7648 .0064 .0081 .0061 .0059 .0016 -.0012 .0031
	As2 .3103 .0633 .7214 .0078 .0096 .0075 .0071 .0015 -.0012 .0035
	Zn1 0 .5 0 .0122 .0097 .0133 .0132 .0008 -.0025 .0047
	Fe2 .5 0 0 .0065 .0075 .0070 .0051 .0015 -.0005 .0024
	Fe3 .5 .5 .5 .0087 .0130 .0093 .0045 .0051 -.0020 .0021
	Fe4 .2360 .1255 .2787 .70 .0112 .0132 .0123 .0108 .0053 .0026 .0061
	Zn4 .2360 .1255 .2787 .30 .0112 .0132 .0123 .0108 .0053 .0026 .0061
	Fe5 .4902 .4242 .8375 .70 .0087 .0091 .0091 .0081 .0010 -.0017 .0032
	Zn5 .4902 .4242 .8375 .30 .0087 .0091 .0091 .0081 .0010 -.0017 .0032
	O1 .464 .805 .831 .0124
	O2 .190 .534 .827 .0133
	O3 -.043 .758 .808 .0102
	O4 .221 .608 .591 .0113
	O5 .312 .235 .702 .0145
	O6 .050 -.043 .637 .0162
	O7 .545 -.017 .644 .0173
	O8 .301 .091 .892 .0109
	OH1 .216 .674 .143 .0114
	OH2 .370 .511 .316 .0110
	OH3 .311 .399 .006 .0112
	OH4 .211 -.051 .095 .0108
	OH5 .299 .301 .454 .0151
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	Betpakdalite-CaCa
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 61-66
	The crystal structure of betpakdalite, and a new chemical formula:
	{Mg(H2O)6}Ca2(H2O)13[Mo8As2Fe3O36(OH)](H2O)4
	_database_code_amcsd 0005591
	19.531 11.061 15.257 90 131.57 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)
	Mo1 .21480 -.16070 .19391 .0081 .0099 .0075 .0086 .0008 .0069 .0007
	Mo2 .37106 0 .19692 .0079 0076 .0082 .0081 0 .0053 0
	Mo3 .37566 0 .42461 .0120 .0096 .0178 .0083 0 .0058 0
	As -.13451 0 .05884 .0083 .0083 .0085 .0084 0 .0057 0
	Fe1 .75 .75 0 .0111 .0127 .0094 .0127 -.0004 .0090 .0009
	Fe2 0 0 0 .0119 .0109 .0142 .0130 0 .0091 0
	Mg .5 0 0 .0224 .0172 .0270 .0244 0 .0143 0
	Ca .1559 -.1768 .4880 .5 .0330 .0336 .0261 .0302 -.0005 .0172 .0115
	O1 .2126 0 .0926 .0094 .0102 .0088 .0076 0 .0051 0
	O2 .2375 0 .2852 .0115 .0111 .0131 .0116 0 .0081 0
	O3 .3423 -.1249 .1022 .0153 .0162 .0133 .0188 -.0016 .0125 -.0035
	O4 .3505 -.1137 .2869 .0135 .0133 .0162 .0132 .0005 .0098 .0001
	O5 .2184 -.2546 .1012 .0153 .0211 .0131 .0196 -.0015 .0168 -.0022
	O6 .0947 -.1279 .1007 .0154 .0140 .0158 .0167 .0007 .0103 .0007
	O7 .1513 -.1243 -.1056 .0173 .0223 .0142 .0109 .0061 .0092 -.0019
	O8 .0285 0 -.1066 .0171 .0077 .0335 .0110 0 .0066 0
	O9 .3708 -.1229 .4889 .0233 .0233 .0252 .0155 -.0026 .0104 .0023
	O10 .4873 0 .2926 .5 .0176 .0124 .0249 .0134 0 .0076 0
	OH10 .4873 0 .2926 .5 .0176 .0124 .0249 .0134 0 .0076 0
	O11 .2346 -.2608 .2940 .0197 .0255 .0192 .0170 .0029 .0151 .0050
	O12 .5 .014 .5 .5 .0188 .0080 .0314 .0151 0 .0069 0
	Wat1 .4657 -.1347 .0586 .0483 .0370 .0641 .0462 -.0199 .0286 .0002
	Wat2 .6294 0 .1650 .0397 .0230 .0528 .0335 0 .0146 0
	Wat3 -.2077 0 .2216 .0405 .0535 .0400 .0459 0 .0405 0
	Wat4 .1277 -.0504 .3390 .5 .0368 .0318 .0602 .0240 .0059 .0208 .0125
	Wat5 -.1056 -.030 .4644 .5 .0698 .0716 .0676 .0577 -.0145 .0376 .0054
	Wat6 -.2951 -.0419 .4039 .5 .0319 .0370 .0279 .0386 .0032 .0284 -.0007
	Wat7 -.2335 -.2001 .5028 .5 .0385 .0656 .0251 .0475 .0084 .0471 .0010
	Wat8 .4798 -.3068 .3544 .1214 .0738 .0658 .1078 .0163 .0110 -.0224
	Wat9 .0569 -.2307 .2597 .5 .0537 .0446 .0429 .0558 -.0013 .0258 .0011
	Wat10 .417 -.200 .702 .25 .0494
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	Wooldridgeite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 73-81
	The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10,
	a novel copper pyrophosphate mineral
	_database_code_amcsd 0005593
	11.938 32.854 11.017 90 90 90 Fdd2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 0 0 .015 .015 .017 .014 .003 0 0
	Na .2143 .0974 .0959 .049 .064 .062 .022 -.034 .017 -.007
	Cu .1201 .13964 .6000 .019 .020 .021 .017 .010 .007 .009
	P1 .0457 .1811 .3560 .018 .020 .021 .015 -.004 .004 .000
	P2 .1413 .0705 .8009 .017 .018 .018 .017 .000 .003 .003
	O1 .1986 .0470 .685 .018 .017 .023 .013 .000 -.003 -.002
	O2 .0870 .2128 .268 .021 .019 .026 .018 -.006 -.001 .006
	O3 .1374 .1687 .445 .027 .024 .039 .019 .014 .005 .006
	O4 .2401 .1045 .544 .031 .034 .035 .025 .023 .017 .016
	O5 .0916 .1096 .751 .027 .036 .022 .022 .008 .017 .011
	O6 .2355 .0781 .893 .028 .027 .035 .022 -.009 -.002 -.008
	O7 .0555 .0412 .847 .022 .025 .025 .017 -.012 .003 -.001
	Wat1 .0840 .0437 .158 .024 .019 .027 .025 -.002 .003 -.004
	Wat2 .042 .1388 .046 .050 .061 .054 .036 -.008 .011 -.004
	Wat3 .129 .2119 .924 .044 .042 .045 .045 .003 -.006 -.014
	Wat4 .230 .1869 .710 .072 .059 .108 .049 -.046 .020 -.029
	Wat5 .1562 .0125 .376 .035 .028 .038 .038 -.002 -.010 -.004
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	Bideauxite
	Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
	The Canadian Mineralogist 37 (1999) 915-921
	Stereoactive lone-pair behavior of Pb in the crystal structure of
	bideauxite: Pb2AgCl3F(OH)
	Sample: CH
	_database_code_amcsd 0005624
	14.1273 14.1273 14.1273 90 90 90 *Fd-3m
	.125 .125 .125
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .22185 .22185 .22185 .0206 .0206 .0206 -.0038 -.0038 -.0038
	Ag 1/2 1/2 1/2 .0340 .0340 .0340 .0101 .0101 .0101
	Cl .8380 1/8 1/8 .0360 .0219 .0219 0 0 -.0014
	OH .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012
	F .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012
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	Bideauxite
	Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
	The Canadian Mineralogist 37 (1999) 915-921
	Stereoactive lone-pair behavior of Pb in the crystal structure of
	bideauxite: Pb2AgCl3F(OH)
	Sample MPP
	_database_code_amcsd 0005625
	14.1376 14.1376 14.1376 90 90 90 *Fd-3m
	.125 .125 .125
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .22192 .22192 .22192 .0303 .0303 .0303 -.0040 -.0040 -.0040
	Ag 1/2 1/2 1/2 .0446 .0446 .0446 .0110 .0110 .0110
	Cl .8375 1/8 1/8 .0444 .0317 .0317 0 0 -.0002
	OH .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005
	F .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005
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	Kettnerite
	Grice J D, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 923-927
	Crystal-structure determination of twinned kettnerite
	_database_code_amcsd 0005626
	3.7976 3.7976 13.569 90 90 90 *Pmmn
	.25 .25 0
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .25 .25 .4000 .0074 .0074 .0096 0 0 0
	Bi .25 .25 .09435 .0118 .0118 .0094 0 0 0
	C .75 .75 .2558 .0135 .0135 .0034 0 0 0
	O1 .75 .25 0 .0071 .0071 .0091 0 0 0
	O2 .75 .75 .1576 .0312 .0312 .0078 0 0 0
	O3 .546 .25 -.2991 .0148 .0117 .0198 0 .0047 0
	F .75 .25 .5 .0125 .0125 .0114 0 0 0
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	Rutherfordine
	Finch R J, Cooper M A, Hawthorne F C, Ewing R C
	The Canadian Mineralogist 37 (1999) 929-938
	Refinement of the crystal structure of rutherfordine
	_database_code_amcsd 0005627
	4.840 9.273 4.298 90 90 90 Imm2
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U 0 0 0 .0055 .0312 .0076 0 0 0
	C 1/2 0 .3864 .0120 .0285 .0097 0 0 0
	O1 0 -.1880 -.0049 .0309 .0279 .0263 0 0 .0027
	O2 .2638 0 .5066 .0083 .0448 .0166 0 .0039 0
	O3 1/2 0 .0795 .0104 .0979 .0090 0 0 0
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	Sidpietersite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 1275-1282
	The structure topology of sidpietersite, Pb4(SO3S)O2(OH)2,
	a novel thiosulfate structure
	_database_code_amcsd 0005630
	7.455 6.496 11.207 114.33 89.65 88.69 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)
	Pb1 .1221 .7483 .0063 .0191 .0159 .0152 .0255 .0007 -.0002 .0079
	Pb2 .6198 .5932 .3116 .0235 .0168 .0311 .0219 .0003 .0022 .0104
	Pb3 .1030 .6262 .3048 .0233 .0180 .0309 .0200 -.0030 -.0011 .0094
	Pb4 .6275 .7487 .0275 .0182 .0146 .0155 .0239 -.0003 .0016 .0077
	S1 .3704 .1253 .3160 .0193 .0236 .0135 .0181 -.0019 -.0026 .0038
	S2 .1509 .2040 .4275 .0350 .0289 .0422 .0314 .0033 .0056 .0130
	O1 .530 .185 .390 .0469 .0262 .0580 .0607 .0013 .0142 .0292
	O2 .352 .246 .229 .0400 .0542 .0259 .0438 -.0079 .0055 .0180
	O3 .372 -.127 .231 .0285 .0376 .0103 .0227 -.0069 -.0079 -.0085
	O4 .128 .475 .085 .0191 .0245 .0223 .0057 .0086 .0052 .0015
	O5 .615 .450 .084 .0238 .0250 .0130 .0326 .0074 .0031 .0088
	OH1 .874 .357 .245 .0228 .0198 .0397 .0132 .0021 .0041 .0154
	OH2 .841 .796 .256 .0251 .0340 .0339 .0108 -.0095 -.0104 .0122
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	Calciotantite
	Cooper M A, Hawthorne F C, Cerny P
	The Canadian Mineralogist 37 (1999) 1289-1294
	Ta-Nb order in the crystal structure of niobium-rich calciotantite
	_database_code_amcsd 0005632
	6.2261 6.2261 12.280 90 90 120 P6_322
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ta1 .35938 .35938 1/2 .698 .0076 .0090 .0090 .0070 .0063 -.0001 .0001
	Nb1 .35938 .35938 1/2 .302 .0076 .0090 .0090 .0070 .0063 -.0001 .0001
	Ta2 1/3 2/3 1/4 .727 .0082 .0091 .0091 .0062 .0046 0 0
	Nb2 1/3 2/3 1/4 .273 .0082 .0091 .0091 .0062 .0046 0 0
	Ca 2/3 1/3 1/4 .0065 .0069 .0069 .0058 .0035 0 0
	O1 .3757 .4304 .3440 .0097 .0099 .0121 .0075 .0057 .0010 .0025
	O2 .7532 .7532 1/2 .0131 .0154 .0154 .0142 .0120 .0006 -.0006
	O3 1/3 2/3 .5339 .0092 .0075 .0075 .0127 .0037 0 0
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	Arakiite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 1471-1482
	The effect of differences in coordination on ordering of
	polyvalent cations in close-packed structures: The crystal
	structure of arakiite and comparison with hematolite
	_database_code_amcsd 0005637
	14.236 8.206 24.225 90 93.52 90 Cc
	atom x y z occ Uiso
	Zn1 0 .2434 0 .71 .0085
	Mn1 0 .2434 0 .29 .0085
	Mn1 .9137 .3711 .1297 .0118
	Mn2 .6836 .3897 .1281 .0130
	Mn3 .7871 .0312 .1292 .0119
	Fe4 .1305 .2662 .1285 .0088
	Mn5 .9895 .0026 .2297 .0091
	Mn6 .3438 .1696 .2306 .0099
	Mn7 .5830 .1177 .2298 .0103
	Mn8 .4816 .2613 .3404 .80 .0102
	Mg8 .4816 .2613 .3404 .20 .0102
	Mn9 .8486 .4737 .4292 .10 .0125
	Mg9 .8486 .4737 .4292 .90 .0125
	Mn10 .9217 .1147 .4294 .13 .0133
	Mg10 .9217 .1147 .4294 .87 .0133
	Mn11 .0607 .4054 .4311 .31 .0079
	Mg11 .0607 .4054 .4311 .69 .0079
	Mn12 .2802 .3292 .4316 .28 .0088
	Mg12 .2802 .3292 .4316 .72 .0088
	Mn13 .1305 .0383 .4278 .15 .0073
	Mg13 .1305 .0383 .4278 .85 .0073
	Fe14 .7047 .1859 .4307 .26 .0095
	Al14 .7047 .1859 .4307 .74 .0095
	As1 .1464 .2624 .3084 .0077
	As2 .8051 .2639 .2282 .0094
	As3 .4595 .2639 .1091 .0075
	O1 .887 .156 .1893 .0125
	O2 .705 .190 .1884 .0116
	O3 .812 .444 .1889 .0156
	O4 .035 .216 .2866 .0171
	O5 .173 .453 .2865 .0162
	O6 .225 .126 .2854 .0147
	O7 .154 .259 .3803 .0095
	O8 .408 .092 .0848 .0152
	O9 .569 .277 .0863 .0145
	O10 .466 .261 .1791 .0124
	O11 .395 .426 .0853 .0150
	OH1 .009 .219 .0823 .0066
	OH2 .626 .318 .4772 .0107
	OH3 .397 .415 .4792 .0123
	OH4 .466 .029 .4803 .0163
	OH5 .107 .065 .1778 .0115
	OH6 .048 .396 .1783 .0154
	OH7 .245 .322 .1788 .0110
	OH8 .158 .457 .0829 .0115
	OH9 .204 .112 .0821 .0127
	OH10 .723 .385 .3881 .0145
	OH11 .790 .054 .3890 .0144
	OH12 .594 .116 .3836 .0133
	OH13 .821 .255 .4722 .0143
	OH14 .186 .486 .4726 .0122
	OH15 .362 .181 .3827 .0128
	OH16 .938 .330 .3882 .0079
	OH17 .256 .111 .4714 .0173
	OH18 .044 .184 .4714 .0093
	OH19 .508 .490 .3798 .0136
	OH20 .462 .070 .2781 .0129
	OH21 .386 .382 .2778 .0118
	OH22 .583 .337 .2773 .0150
	OH23 .793 .262 .0860 .0095
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	Boleite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 38 (2000) 801-808
	Boleite: Resolution of the formula, KPb26Ag9Cu24Cl62(OH)48
	_database_code_amcsd 0005684
	15.288 15.288 15.288 90 90 90 Pm-3m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 1/2 1/2 1/2 .0478 .0478 .0478 .0478 0 0 0
	Pb(1) .22633 1/2 1/2 .0212 .0197 .0219 .0219 0 0 0
	Pb(2) .30301 .30301 .30301 .0173 .0173 .0173 .0173 -.0023 -.0023 -.0023
	Pb(3) .27356 1/2 0 .0234 .0182 .0345 .0174 0 0 0
	Ag(1) 0 .1573 0 .0326 .0308 .0362 .0308 0 0 0
	Ag(2) 0 1/2 0 .0393 .0457 .0265 .0457 0 0 0
	Cu .25567 .25567 .09458 .0127 .0142 .0142 .0097 .0030 .0010 .0010
	Cl(1) .1222 .1222 .1222 .0297 .0297 .0297 .0297 -.0058 -.0058 -.0058
	Cl(2) .3848 .3848 .1210 .0215 .0209 .0209 .0227 -.0034 -.0033 -.0033
	Cl(3) 0 .3296 0 .0234 .0243 .0218 .0243 0 0 0
	Cl(4) .1316 1/2 .1316 .0198 .0225 .0143 .0225 0 .0062 0
	Cl(5) .3306 1/2 .3306 .0326 .0390 .0199 .0390 0 .0195 0
	O(1) 0 .3302 .2104 .0141 .0149 .0146 .0127 0 0 .0036
	O(2) .1880 .1880 .3119 .0176 .0174 .0174 .0181 .0032 .0046 .0046
	H(1) 0 .339 .147 .0272
	H(2) .162 .162 .364 .0511
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	Andyrobertsite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 38 (2000) 817-830
	Highly undersaturated anions in the crystal structure of andyrobertsite -
	calcio-andyrobertsite, a doubly acid arsenate of the form
	K(Cd,Ca)[Cu5(AsO4)4{As(OH)2O2}](H2O)2
	_database_code_amcsd 0005686
	9.8102 10.0424 9.9788 90 101.686 90 P2_1/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	As1 .18027 .04168 .07665 .0068 .0080 .0063 .0064 -.0010 .0020 -.0010
	As2 .18285 .04072 .48913 .0077 .0100 .0068 .0068 -.0009 .0032 .0005
	As3 .63179 1/4 .19752 .0166 .0069 .0244 .0192 0 .0039 0
	Cu1 .92130 .02668 .23738 .0097 .0114 .0118 .0065 -.0029 .0032 -.0007
	Cu2 .92830 1/4 .47111 .0102 .0127 .0054 .0144 0 .0071 0
	Cu3 .92803 1/4 .01065 .0099 .0113 .0060 .0111 0 -.0007 0
	Cu4 .33062 1/4 .31118 .0087 .0124 .0067 .0075 0 .0033 0
	Ca .71729 1/4 .69496 .428 .0114 .0102 .0111 .0134 0 .0039 0
	Cd .71729 1/4 .69496 .426 .0114 .0102 .0111 .0134 0 .0039 0
	Mn .71729 1/4 .69496 .146 .0114 .0102 .0111 .0134 0 .0039 0
	K .3562 1/4 .8281 .0230 .0225 .0252 .0237 0 .0106 0
	O1 .1756 .0779 .9134 .0152 .0217 .0156 .0093 -.0101 .0055 -.0020
	O2 .8212 .1228 .8847 .0128 .0174 .0058 .0135 .0001 -.0013 .0020
	O3 .3242 .1082 .1724 .0126 .0096 .0138 .0136 -.0010 .0005 -.0069
	O4 .0358 .1107 .1204 .0103 .0098 .0113 .0109 .0027 .0044 .0022
	O5 .8297 .1207 .5618 .0118 .0153 .0062 .0157 -.0013 .0078 -.0017
	O6 .0342 .1120 .4008 .0104 .0114 .0107 .0092 .0019 .0023 -.0011
	O7 .3232 .1101 .4471 .0134 .0126 .0141 .0140 -.0019 .0035 .0043
	O8 .1934 .0630 .6562 .0165 .0205 .0230 .0068 -.0100 .0047 -.0006
	O9 .8050 1/4 .2178 .0206 .0073 .0240 .0300 0 .0025 0
	O10 .5653 1/4 .3363 .0234 .0129 .0382 .0191 0 .0035 0
	Oh .5733 .1154 .0936 .0423 .0252 .0627 .0438 -.0252 .0182 -.0277
	OW .5326 .1078 .6744 .0202 .0161 .0158 .0275 .0015 .0018 -.0003
	H1 .465 .111 .587 .0200
	H2 .594 .034 .662 .0200
	H3 .479 .097 .106 .0200
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	Adamsite-(Y)
	Grice J D, Gault R A, Roberts A C, Cooper M A
	The Canadian Mineralogist 38 (2000) 1457-1466
	Adamsite-(Y), a new sodium-yttrium carbonate mineral species from
	Note: O8 y-coordinate altered
	Locality: Mont Saint-Hilaire, Quebec, Canada
	_database_code_amcsd 0005703
	6.2592 13.0838 13.2271 91.130 103.554 90.188 P-1
	atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Y1 .3114 .62581 .00962 .0156 .72 .0114 .0151 .0207 .0005 .0044 .0000
	Dy1 .3114 .62581 .00962 .0156 .06 .0114 .0151 .0207 .0005 .0044 .0000
	Er1 .3114 .62581 .00962 .0156 .05 .0114 .0151 .0207 .0005 .0044 .0000
	Gd1 .3114 .62581 .00962 .0156 .04 .0114 .0151 .0207 .0005 .0044 .0000
	Nd1 .3114 .62581 .00962 .0156 .03 .0114 .0151 .0207 .0005 .0044 .0000
	Yb1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000
	Sm1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000
	Ho1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000
	Ce1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000
	Tb1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000
	Tm1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000
	Y2 .8016 .87428 -.01011 .0161 .72 .0127 .0153 .0213 -.0009 .0060 .0000
	Dy2 .8016 .87428 -.01011 .0161 .06 .0127 .0153 .0213 -.0009 .0060 .0000
	Er2 .8016 .87428 -.01011 .0161 .05 .0127 .0153 .0213 -.0009 .0060 .0000
	Gd2 .8016 .87428 -.01011 .0161 .04 .0127 .0153 .0213 -.0009 .0060 .0000
	Nd2 .8016 .87428 -.01011 .0161 .03 .0127 .0153 .0213 -.0009 .0060 .0000
	Yb2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000
	Sm2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000
	Ho2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000
	Ce2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000
	Tb2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000
	Tm2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000
	Na1 .4232 .6251 .3243 .0360 .0312 .0395 .0376 .0036 .0086 .0011
	Na2 .6022 .8753 -.3231 .0333 .0327 .0360 .0314 .0016 .0084 -.0010
	C1 .240 .8730 -.0492 .0173 .0170 .0179 .0157 -.0018 .0012 -.0007
	C2 .872 .8738 .2092 .0231 .0269 .0165 .0298 -.0016 .0146 -.0004
	C3 -.211 .6269 .0466 .0195 .0282 .0168 .0154 .0022 .0087 -.0022
	C4 .169 .6262 -.2115 .0249 .0292 .0138 .0303 .0003 .0042 -.0016
	O1 .1513 .7890 -.0331 .0229 .0265 .0182 .0254 -.0017 .0092 .0004
	O2 .1217 .9532 -.0496 .0234 .0228 .0159 .0328 .0042 .0092 -.0009
	O3 .4350 .8794 -.0622 .2741 .0162 .0326 .0329 .0017 .0045 .0038
	O4 .0296 .8604 .1608 .0206 .0149 .0257 .0225 -.0000 .0071 -.0026
	O5 .6771 .8886 .1516 .0256 .0152 .0279 .0336 .0003 .0053 -.0005
	O6 .9090 .8711 .3079 .0330 .0360 .0447 .0215 -.0014 .0135 -.0007
	O7 .3325 .4531 -.0506 .0222 .0136 .0186 .0311 -.0032 -.0015 .0008
	O8 .6827 .7113 .0332 .0220 .0207 .0191 .0255 -.0006 .0044 .0006
	O9 -.0049 .6204 .0612 .0270 .0131 .0324 .0366 -.0026 .0080 -.0035
	O10 .0300 .6114 -.1524 .0254 .0171 .0256 .0344 -.0013 .0075 .0033
	O11 .3732 .6395 -.1602 .0220 .0145 .0274 .0214 -.0003 -.0015 -.0014
	O12 .111 .6278 -.3104 .0330 .0265 .0430 .0254 .0003 -.0024 -.0001
	Wat13 .6736 .9851 -.1662 .0261 .0220 .0259 .0273 -.0016 -.0009 .0032
	Wat14 .7168 .7657 -.1714 .0224 .0195 .0216 .0255 .0008 .0039 -.0024
	Wat15 .3380 .5153 .1656 .0281 .0301 .0221 .0363 .0040 .0161 .0054
	Wat16 .3866 .7340 .1714 .0245 .0246 .0238 .0241 -.0024 .0035 -.0004
	Wat17 .778 .5549 .4006 .0374 .0246 .0403 .0451 .0014 .0035 .0007
	Wat18 .605 .7928 .4110 .0404 .0414 .0431 .0399 -.0032 .0158 .0016
	Wat19 .412 .7126 -.4058 .0390 .0387 .0399 .0404 -.0035 .0131 -.0022
	Wat20 .898 .8102 -.3901 .0406 .0328 .0412 .0521 .0014 .0184 .0059
	Wat21 .238 .9481 -.3908 .0382 .0288 .0382 .0498 -.0014 .0139 -.0015
	Wat22 .124 .6902 .3876 .0404 .0310 .0480 .0436 -.0014 .0113 .0073
	Wat23 .704 .5437 .6008 .0418 .0304 .0437 .0503 -.0022 .0077 .0001
	Wat24 .698 .0411 -.4079 .0371 .0279 .0449 .0370 -.0042 .0048 .0013
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	Bismutotantalite
	Galliski M A, Marquez-Zavalia M F, Cooper M A, Cerny P, Hawthorne F C
	The Canadian Mineralogist 39 (2001) 103-110
	Bismutotantalite from northwestern Argentina: Description and
	crystal structure
	Sample: [Bi] phase
	Locality: northwestern Argentina
	_database_code_amcsd 0005704
	4.9652 11.7831 5.6462 90 90 90 Pcnn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi .22147 1/2 1/4 .98 .0101 .0083 .0112 .0108 0 0 .0011
	Sb .22147 1/2 1/4 .02 .0101 .0083 .0112 .0108 0 0 .0011
	Ta 1/4 3/4 .64078 .89 .0068 .0066 .0068 .0069 -.0001 0 0
	Nb 1/4 3/4 .64078 .11 .0068 .0066 .0068 .0069 -.0001 0 0
	O(1) .49543 .69489 .36094 .0139 .0136 .0138 .0142 -.0006 .0040 -.0007
	O(2) .08657 .59742 .58723 .0110 .0143 .0082 .0105 -.0040 .0035 .0005
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	Bismutotantalite
	Galliski M A, Marquez-Zavalia M F, Cooper M A, Cerny P, Hawthorne F C
	The Canadian Mineralogist 39 (2001) 103-110
	Bismutotantalite from northwestern Argentina: Description and
	crystal structure
	Sample: [Bi,Sb] phase
	Locality: northwestern Argentina
	_database_code_amcsd 0005705
	4.9471 11.7878 5.6048 90 90 90 Pcnn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi .21854 1/2 1/4 .68 .0084 .0079 .0078 .0096 0 0 .0016
	Sb .21854 1/2 1/4 .32 .0084 .0079 .0078 .0096 0 0 .0016
	Ta 1/4 3/4 .63557 .89 .0035 .0016 .0043 .0048 .0002 0 0
	Nb 1/4 3/4 .63557 .11 .0035 .0016 .0043 .0048 .0002 0 0
	O(1) .49292 .69680 .35839 .0098 .0093 .0091 .0110 -.0050 .0044 .0006
	O(2) .08608 .59692 .58587 .0081 .0070 .0075 .0099 -.0010 .0043 -.0015
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	Schwartzembergite
	Welch M D, Hawthorne F C, Cooper M A, Kyser T K
	The Canadian Mineralogist 39 (2001) 785-795
	Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3
	_database_code_amcsd 0005721
	3.977 3.977 12.566 90 90 90 I4/mmm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb 0 0 .1421 .833 .0024 .0024 .0022 0 0 0
	I 0 0 .185 .167 .0011 .0011 .0031 0 0 0
	Cl 0 0 .5 .0024 .0024 .0040 0 0 0
	O .5 0 .25 .0031 .0031 .0032 0 0 0
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	Marthozite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 39 (2001) 797-807
	Structure topology and hydrogen bonding in mathozite, Cu[(UO2)3(SeO3)2O2](H2O)8,
	a comparison with guilleminite, Ba[(UO2)3(SeO3)2O2](H2O)3
	_database_code_amcsd 0005722
	6.9879 16.4537 17.2229 90 90 90 Pbn2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .20563 .27827 .5 .0137 .0098 .0155 .0157 .0018 .0081 .0012
	U(2) .20222 .20848 .10493 .0120 .0101 .0148 .0111 -.0006 .0073 -.0007
	U(3) .21002 .23414 .89322 .0139 .0116 .0189 .0112 .0032 .0075 .0017
	Se(1) .1920 .2877 .2989 .0160 .0097 .0243 .0139 -.0006 .0060 -.0009
	Se(2) .1917 .3239 .6966 .0149 .0061 .0261 .0125 .0031 .0059 -.0007
	Cu .1976 .4622 .1177 .0231 .0225 .0236 .0232 .0003 .0056 -.0012
	O(1) .2325 .2038 .2441 .0173
	O(2) .0497 .2466 .3718 .0170
	O(3) .3861 .2959 .3560 .0294
	O(4) .2478 .2434 .7561 .0197
	O(5) .0458 .2800 .6307 .0156
	O(6) .3748 .3244 .6332 .0189
	O(7) .1670 .3856 .4888 .0150
	O(8) .2510 .1709 .5119 .0189
	O(9) .2493 .0998 .0994 .0167
	O(10) .1530 .3148 .1211 .0115
	O(11) .2613 .1287 .8847 .0196
	O(12) .1649 .3396 .8949 .0270
	O(13) .3824 .2460 .0030 .0116
	O(14) .5155 .2948 .4966 .0125
	Wat(1) -.0016 .4661 .0303 .0226
	Wat(2) .3721 .4501 .2062 .0307
	Wat(3) -.0051 .4934 .1901 .0250
	Wat(4) .3993 .4242 .0456 .0372
	Wat(5) .7045 .3910 .1679 .0342
	Wat(6) .0287 .5091 .3466 .0471
	Wat(7) .5051 .4243 .7889 .0385
	Wat(8) .4841 .4867 .4276 .0412
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	Sewardite
	Roberts A C, Cooper M A, Hawthorne F C, Criddle A J, Stirling J A R
	The Canadian Mineralogist 40 (2002) 1191-1198
	Sewardite, CaFe2(AsO4)(OH)2, the Ca-analogue of carminite,
	from Tsumeb, Namibia: Description and crystal structure
	Locality: Tsumeb, Namibia
	_database_code_amcsd 0005788
	16.461 7.434 12.131 90 90 90 Cccm
	atom x y z Uiso
	Ca1 0 0 1/4 .0185
	Ca2 1/4 3/4 0 .0101
	Fe .37896 .1321 .13404 .0056
	As1 .04504 .7447 0 .0054
	As2 .21374 0 1/4 .0048
	O1 .0144 .2246 .1119 .005
	O2 .0885 .529 0 .006
	O3 .1219 -.114 0 .012
	O4 .1511 .1777 .2389 .011
	O5 .2720 -.0150 .1378 .005
	OH6 .1711 .233 0 .005
	OH7 .4243 0 1/4 .017
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	Anorthominasragrite
	Cooper M A, Hawthorne F C, Grice J D, Haynes P
	The Canadian Mineralogist 41 (2003) 959-979
	Anorthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain,
	Emery County, Utah, U.S.A.: Description, crystal structure and hydrogen bonding
	Locality: Temple Mountain, Emery County, Utah, USA
	_database_code_amcsd 0005878
	7.533 7.792 7.818 78.96 71.86 65.41 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)
	V(1) .12488 .70127 .81162 .0139 .0146 .0130 .0131 -.0058 -.0019 .0001
	S(1) -.0759 .4323 .7700 .0144 .0184 .0151 .0119 -.0088 -.0044 .0007
	O(1) -.0080 .2446 .7111 .021 .030 .018 .021 -.013 -.009 -.002
	O(2) -.1980 .4410 .9629 .017 .017 .024 .010 -.010 -.000 .001
	O(3) -.2048 .5789 .6653 .022 .027 .023 .014 -.010 -.009 .005
	O(4) .1068 .4700 .7551 .021 .024 .019 .018 -.009 -.000 -.007
	O(5) -.1087 .8167 .8944 .025 .019 .028 .027 -.008 -.005 -.007
	OW(1) .2351 .8909 .8350 .023 .030 .020 .024 -.015 -.007 -.003
	OW(2) .1474 .8043 .5510 .024 .035 .030 .017 -.019 -.014 .004
	OW(3) .4535 .5275 .6937 .020 .013 .020 .025 -.005 -.006 -.000
	Wat(4) -.3629 .9818 .6052 .032 .029 .030 .035 -.017 -.005 .007
	Wat(5) .5236 .1867 .9212 .037 .031 .025 .048 -.005 -.007 -.003
	H(1) .325 .883 .906 .05
	H(2) .163 .027 .814 .05
	H(3) .113 .774 .453 .05
	H(4) .214 .893 .496 .05
	H(5) .563 .568 .685 .05
	H(6) .495 .407 .766 .6 .05
	H(7) .460 .528 .567 .4 .05
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	Vasilyevite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 41 (2003) 1173-1181
	The crystal structure of vasilyevite, (Hg2)10O6I3(Br,Cl)3(CO3)
	_database_code_amcsd 0005883
	9.344 10.653 18.265 93.262 90.548 115.422 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)
	Hg(1) .4508 .3267 .4759 .027 .027 .022 .024 .005 -.004 -.008
	Hg(2) .2648 .1059 .4020 .028 .027 .022 .024 .001 -.004 -.007
	Hg(3) .5351 .2824 .7804 .025 .029 .020 .022 .007 .004 -.000
	Hg(4) .5985 .4122 .6605 .028 .033 .033 .015 .012 .002 -.003
	Hg(5) .8273 -.1104 .9045 .023 .025 .021 .018 .005 -.001 -.002
	Hg(6) .1287 .0098 .2213 .026 .026 .034 .015 .009 .002 .006
	Hg(7) .9750 .2052 .9605 .025 .019 .026 .030 .011 .000 -.002
	Hg(8) .7029 .1959 .9281 .026 .016 .028 .033 .010 .001 .002
	Hg(9) .2223 .0437 .9077 .026 .026 .023 .026 .009 .000 -.008
	Hg(10) .2081 -.1672 .8309 .030 .029 .028 .030 .010 .003 -.011
	Hg(11) .8386 .2521 .6604 .026 .020 .018 .037 .004 .001 -.004
	Hg(12) .0431 .4739 .7262 .035 .024 .028 .044 .004 -.008 -.007
	Hg(13) .6969 .1718 .4778 .031 .035 .031 .025 .013 -.000 .001
	Hg(14) .6993 .2321 .3448 .030 .034 .031 .023 .011 .000 -.000
	Hg(15) .5510 .3552 .2057 .032 .023 .035 .040 .013 -.003 .002
	Hg(16) .6970 .6043 .8167 .041 .032 .029 .060 .014 -.015 -.013
	Hg(17) -.1367 -.0950 .3689 .029 .016 .035 .034 .009 .001 -.003
	Hg(18) .4120 .1058 .6110 .032 .024 .032 .039 .011 .003 -.003
	Hg(19) .4805 .3880 .9638 .028 .034 .022 .027 .011 .003 -.006
	Hg(20) .8710 .5119 .5151 .028 .018 .034 .032 .011 .005 -.002
	CO3 .549 .997 .745 .85 .004
	S .549 .997 .745 .15 .004
	O(1) .916 .062 .670 .009
	O(2) -.194 -.193 .015 .009
	O(3) .506 .236 .892 .009
	O(4) .620 .096 .590 .009
	O(5) .618 .450 .550 .009
	O(6) .752 .311 .241 .009
	O(7) .326 -.107 .219 .85 .004
	O(8) .427 .009 .742 .85 .004
	O(9) .430 .102 .272 .85 .004
	I(1) .078 .2800 .3117 .034
	I(2) .085 .4491 .1046 .034
	I(3) .195 .3017 .8173 .040
	BrX(1) .483 .838 .9311 .73 .025
	ClX(1) .483 .838 .9311 .27 .025
	BrX(2) .315 .469 .6301 .69 .035
	ClX(2) .315 .469 .6301 .31 .035
	BrX(3) .003 .175 .505 .22 .026
	ClX(3) .003 .175 .505 .78 .026
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	Schlemaite
	Forster H J, Cooper M A, Roberts A C, Stanley C J, Criddle A J,
	Hawthorne F C, Laflamme J H G, Tischendorf G
	The Canadian Mineralogist 41 (2003) 1433-1444
	Schlemaite, (Cu,_)6(Pb,Bi)Se4, a new mineral species from Niederschlema-Alberoda,
	Erzgebirge, Germany: Description and crystal structure
	Locality: Niederschlema-Alberoda, Erzgebirge, Germany
	_database_code_amcsd 0005918
	9.5341 4.1004 10.2546 90 100.066 90 P2_1/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 -.0872 1/4 -.0409 .035 .048 .020 .042 0 .018 0
	Cu2 .2588 1/4 .0273 .034 .044 .023 .043 0 .026 0
	Cu3 .583 1/4 .474 .54 .024 .013 .036 .024 0 .005 0
	Cu4 .500 .327 -.0849 .92 .044 .038 .056 .034 .014 -.004 -.001
	Cu5 .7127 .075 .7208 .48 .062 .038 .083 .065 .029 .012 .039
	Cu6 .509 1/4 .212 .18 .018
	Cu7 .561 1/4 .891 .07 .010
	Cu8 .537 1/4 .446 .26 .036
	Ag .3457 1/4 .2912 .20 .054 .035 .057 .061 0 -.017 0
	Pb .1178 1/4 .6702 .61 .0354 .0460 .0220 .0425 0 .0200 0
	Bi .1178 1/4 .6702 .39 .0354 .0460 .0220 .0425 0 .0200 0
	Se1 .1650 3/4 .4887 .0179 .018 .019 .017 0 .004 0
	Se2 .3008 3/4 -.0880 .0171 .018 .017 .017 0 .0058 0
	Se3 .0883 1/4 .1837 .0188 .024 .017 .017 0 .009 0
	Se4 .5289 3/4 .3268 .0238 .024 .030 .020 0 .009 0
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	Nevadaite
	Cooper M A, Hawthorne F C, Roberts A C, Foord E E, Erd R C, Evans H T, Jensen M C
	The Canadian Mineralogist 42 (2004) 741-752
	Nevadaite, (Cu,_,Al,V)6[Al8(PO4)8F8](OH)2(H2O)22, a new phosphate mineral
	from the Gold Quarry Mine, Carlin, Eureka County, Nevada:
	Description and crystal structure
	Locality: Gold Quarry Mine, Carlin, Eureka County, Nevada, USA
	_database_code_amcsd 0005936
	12.123 18.999 4.9613 90 90 90 P2_1mn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CuM1 .5774 .5 .2888 .5 .033 .055 .011 .032 0 .015 0
	CuM2 .5934 .5 .7206 .3 .0288 .057 .004 .025 0 -.027 0
	VM2 .5934 .5 .7206 .2 .0288 .057 .004 .025 0 -.027 0
	CuM3 .4258 0 .7098 .2 .0082 .015 .005 .004 0 .006 0
	VM3 .4258 0 .7098 .3 .0082 .015 .005 .004 0 .006 0
	AlM3 .4258 0 .7098 .5 .0082 .015 .005 .004 0 .006 0
	Al1 .5 .2502 -.0017 .0074 .0086 .0074 .0063 .0003 .0000 .0000
	Al2 .749 .19131 .2619 .0097 .0069 .0139 .0084 .001 -.001 .0034
	P1 .5192 .1467 .4955 .0088 .0099 .0084 .0082 -.0004 .0012 .0011
	P2 .4817 .3545 .4960 .0088 .0099 .0084 .0082 -.0004 .0012 .0011
	F1 .6464 .2346 .051 .0133 .0106 .0166 .013 -.004 .003 .0037
	F2 .8512 .2360 .059 .0133 .0106 .0166 .013 -.004 .003 .0037
	O1 .6451 .1448 .450 .0163 .0086 .020 .021 -.0005 .0030 .009
	O2 .4753 .0709 .456 .0163 .028 .0102 .010 -.0065 -.001 -.0002
	O3 .4591 .1961 .291 .0093 .0109 .0101 .007 .0031 .0012 .0043
	O4 .4910 .1700 .788 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021
	O5 .3570 .3497 .533 .0163 .0086 .020 .021 -.0005 .0030 .009
	O6 .5217 .4295 .524 .0163 .028 .0102 .010 -.0065 -.001 -.0002
	O7 .5378 .3062 .697 .0093 .0109 .0101 .007 .0031 .0012 .0043
	O8 .5092 .3322 .212 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021
	Wat9 .7496 .2736 .4979 .0175 .015 .0193 .0181 -.006 .003 -.005
	Wat10 .7582 .1156 -.0122 .0175 .015 .0193 .0181 -.006 .003 -.005
	Wat11 .6449 .4244 .009 .8 .0277 .027 .013 .042 .003 -.001 .000
	OH11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000
	F11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000
	Wat12 .3690 .0663 .975 .8 .0277 .027 .013 .042 .003 -.001 .000
	OH12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000
	F12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000
	Wat13 .404 .5 .008 .109 .08 .084 .16 0 .001 0
	Wat14 .7225 .5 .528 .8 .039 .044 .025 .049 0 -.005 0
	OH14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0
	F14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0
	Wat15 .597 0 .998 .62 .022
	Wat16 .546 0 .998 .38 .022
	Wat17 .705 0 .635 .26 .075
	Wat18 .768 0 .460 .56 .075
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	Goldquarryite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 42 (2004) 753-761
	The crystal structure of goldquarryite, (Cu,_)(Cd,Ca)2Al2(PO4)4F2(H2O)10{(H2O),F}2,
	a secondary phosphate from the Gold Quarry Mine, Eureka County, Nevada, U.S.A.
	Locality: Gold Quarry Mine, Carlin, Eureka County, Nevada, USA
	_database_code_amcsd 0005937
	6.787 9.082 10.113 101.40 104.27 102.51 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)
	Cu2+ 0 0 0 .70 .0189 .0342 .0096 .0075 .0006 .0024 .0013
	Cd .27682 .51849 .55938 .84 .0108 .0079 .0127 .0131 .0036 .0045 .0039
	Ca .27682 .51849 .55938 .16 .0108 .0079 .0127 .0131 .0036 .0045 .0039
	P1 .2389 .1857 .3288 .0098 .0091 .0082 .0130 .0024 .0048 .0031
	P2 .1077 .7124 .3264 .0099 .0094 .0088 .0116 .0020 .0040 .0028
	Al1 .5 0 .5 .0087 .0063 .009 .011 .0020 .0026 .0022
	Al2 0 0 .5 .0097 .0094 .009 .010 .0021 .0034 .0030
	Al3 0 .5 0 .0133 .016 .014 .011 .0065 .0057 .0015
	F1 .2842 .0232 .5781 .019 .016 .021 .018 .004 .007 -.001
	O1 .3678 .3563 .3982 .013 .010 .007 .017 -.004 .005 -.001
	O2 .3792 .0736 .3467 .013 .009 .015 .021 .009 .007 .008
	O3 .1427 .1677 .1703 .017 .020 .018 .010 -.002 .000 .007
	O4 .0610 .1459 .3956 .012 .012 .015 .017 .008 .010 .011
	O5 -.0178 .8332 .3468 .012 .008 .015 .015 .004 .004 .006
	O6 .3473 .7923 .3968 .013 .007 .011 .018 .001 -.001 .002
	O7 .0393 .5815 .3952 .016 .014 .016 .023 .005 .009 .013
	O8 .0647 .6484 .1678 .020 .020 .023 .017 .006 .008 .002
	Wat1 .4187 .3769 .7146 .018 .011 .017 .022 -.002 .002 .006
	Wat2 .1833 .6375 -.0544 .80 .016 .021 .017 .015 .008 .010 .004
	F2 .1833 .6375 -.0544 .20 .016 .021 .017 .015 .008 .010 .004
	Wat3 .2319 .4193 .0784 .017 .020 .019 .011 .009 .003 .003
	Wat4 .2734 .7378 .7235 .024 .018 .015 .036 -.001 .015 .000
	Wat5 .1786 .1097 -.0962 .039 .047 .042 .023 .007 .009 .003
	Wat6 .409 -.0751 .0905 .70 .048
	Wat7 .263 -.082 .066 .30 .036
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	Hubeite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 42 (2004) 825-834
	The crystal structure of hubeite, a novel sorosilicate mineral
	_database_code_amcsd 0005941
	9.9653 13.9171 6.5703 133.264 101.414 66.302 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)
	Fe3+ .12336 .89658 .01858 .94 .0073 .00687 .00725 .00740 -.00184 .00003 .00499
	Al .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184 .00003 .00499
	Mg .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184 .00003 .00499
	Mn .00897 .29187 .01555 .87 .0094 .0094 .00972 .0108 -.00333 -.00117 .00763
	Ca .00897 .29187 .01555 .12 .0094 .0094 .00972 .0108 -.00333 -.00117 .00763
	Ca1 .61932 .36094 .00460 .0109 .0092 .0120 .0128 -.00223 -.00026 .0094
	Ca2 .19528 .47015 .06104 .0131 .0107 .0173 .0191 -.00588 -.00310 .0150
	Si1 .89574 .77879 .56898 .0087 .0099 .0083 .0083 -.0033 -.0008 .0058
	Si2 .75432 .60786 .52352 .0083 .0077 .0094 .0091 -.0035 -.0013 .0067
	Si3 .40783 .69102 .55270 .0086 .0074 .0094 .0093 -.0019 .0002 .0068
	Si4 .18597 .92302 .57705 .0087 .0090 .0086 .0083 -.0023 .0002 .0058
	O1 .8064 .94162 .6974 .0112 .0129 .0093 .0122 -.0035 -.0013 .0077
	O2 -.0118 .23117 .2302 .0117 .0134 .0123 .0124 -.0050 -.0028 .0096
	O3 .9692 .66894 .2470 .0126 .0153 .0110 .0085 -.0024 .0006 .0063
	O4 .7629 .7315 .5521 .0145 .0144 .0151 .0217 -.0083 -.0054 .0146
	O5 .7962 .46530 .1929 .0123 .0136 .0115 .0093 -.0047 -.0015 .0061
	O6 .8498 .5950 .7331 .0125 .0122 .0169 .0140 -.0057 -.0026 .0125
	O7 .5808 .6530 .5999 .0168 .0082 .0256 .0244 -.0047 -.0020 .0204
	O8 .3926 .55596 .2402 .0131 .0127 .0115 .0105 -.0033 -.0009 .0063
	O9 .3155 .74208 .8054 .0116 .0106 .0135 .0125 -.0022 .0015 .0099
	O10 .3543 .8183 .5472 .0130 .0109 .0135 .0177 -.0013 .0014 .0125
	O11 .1478 .84494 .2563 .0114 .0127 .0111 .0093 -.0041 -.0007 .0065
	O12 .08130 .94486 .7725 .0104 .0100 .0100 .0109 -.0016 .0020 .0072
	Oh .1938 .07417 -.2791 .0129 .0181 .0096 .0116 -.0056 -.0005 .0069
	OW1 .4280 .2521 -.1743 .0195 .0196 .0191 .0182 -.0090 -.0015 .0111
	OW2 .5137 .0159 -.2640 .5 .0287 .0171 .0242 .0360 -.0110 -.0060 .0163
	OW3 .5080 .0445 -.1273 .5 .0483 .0202 .0471 .0569 -.0117 -.0069 .0287
	H1 .205 .070 -.430 .0296
	H2 .425 .190 -.3781 .0500
	H3 .456 .179 -.165 .0500
	H4 .6117 -.003 -.204 .0500
	H5 .459 -.024 -.248 .0500
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	Oftedalite
	Cooper M A, Hawthorne F C, Ball N A, Cerny P, Kristiansen R
	The Canadian Mineralogist 44 (2006) 943-949
	Oftedalite, (Sc,Ca,Mn2+)2 K (Be,Al)3 Si12 O30, a new member of the milarite
	group from the Heftetjern pegmatite, Tordal, Norway: description and crystal
	structure
	Locality: Heftetjern pegmatite, Tordal, Norway
	_database_code_amcsd 0006096
	10.097 10.097 13.991 90 90 120 P6/mcc
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	KC 0 0 .25 .0204 .0175 .0175 .026 .0087 0 0
	ScA 1/3 2/3 .25 .42 .0090 .0070 .0070 .0131 .0035 0 0
	CaA 1/3 2/3 .25 .515 .0090 .0070 .0070 .0131 .0035 0 0
	MnA 1/3 2/3 .25 .045 .0090 .0070 .0070 .0131 .0035 0 0
	YA 1/3 2/3 .25 .005 .0090 .0070 .0070 .0131 .0035 0 0
	Fe2+A 1/3 2/3 .25 .015 .0090 .0070 .0070 .0131 .0035 0 0
	BeT2 0 .5 .25 .953 .009 .010 .009 .008 .005 0 0
	AlT2 0 .5 .25 .047 .009 .010 .009 .008 .005 0 0
	SiT1 .0884 .3466 .10937 .0076 .0058 .0057 .0110 .0027 -.0011 -.0024
	O1 .1044 .4005 0 .014 .021 .017 .005 .011 0 0
	O2 .2030 .2818 .1300 .022 .023 .028 .028 .023 -.003 -.002
	O3 .1216 .4817 .1816 .016 .023 .013 .015 .012 -.001 -.004
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Burgessite
	Cooper M A, Hawthorne F C
	The Canadian Mineralogist 47 (2009) 165-172
	The crystal structure of burgessite, Co2(H2O)4[AsO3(OH)]2(H2O),
	and its relation to erythrite
	Locality: Keeley mine, South Lorrain Township, Timiskaming District, Ontario, Canada
	_database_code_amcsd 0006277
	4.7058 9.299 12.738 90 98.933 90 P2_1/n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Co .4498 .4601 .37868 .0170 .0138 .0195 .0183 .0004 .0043 -.0019
	As .4837 .18791 .03248 .0148 .0124 .0150 .0178 .0007 .0043 .0008
	O1 .148 .6329 .3589 .019 .017 .025 .015 .005 .004 -.006
	O2 .2812 .4083 .5168 .014 .016 .010 .017 .007 .002 -.006
	O3 .7590 .2968 .4195 .019 .012 .027 .017 .007 .003 -.006
	OH4 .600 .3615 .0676 .031 .048 .015 .033 -.006 .011 -.005
	O5 .627 .5311 .2488 .019 .017 .025 .016 -.000 .007 -.004
	O6 .170 .3317 .2767 .023 .018 .023 .027 -.006 .006 -.004
	Wat7 .444 .052 .4278 .5 .031
	H1 .64 .470 .186 .03
	H2 .818 .573 .271 .03
	H3 .04 .270 .312 .03
	H4 .26 .272 .228 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ercitite
	Cooper M A, Hawthorne F C, Cerny P
	The Canadian Mineralogist 47 (2009) 173-180
	The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2],
	and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2]
	Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada
	_database_code_amcsd 0006278
	6.2499 8.7479 19.9554 90 90 90 Cmca
	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 .5 .3132 .34717 .89 .0205 .0183 .0275 .0155 0 0 .0045
	Ca .5 .3132 .34717 .04 .0205 .0183 .0275 .0155 0 0 .0045
	Mn1 .25 .25 .5 .53 .0097 .0075 .0119 .0097 .0001 -.0003 .0011
	Fe1 .25 .25 .5 .43 .0097 .0075 .0119 .0097 .0001 -.0003 .0011
	Al1 .25 .25 .5 .01 .0097 .0075 .0119 .0097 .0001 -.0003 .0011
	Mn2 .75 .560 .25 .07 .029 .034 .033 .018 0 .004 0
	P .5 .4767 .09528 .0093 .0102 .0085 .0093 0 0 -.0009
	O1 .5 .6282 .0540 .0154 .025 .013 .009 0 0 .001
	OH2 .5 .3673 .5267 .0093 .009 .008 .011 0 0 .001
	O3 .5 .5198 .1688 .0184 .022 .026 .007 0 0 -.002
	O4 .2976 .3845 .07732 .0119 .008 .0156 .0117 .0003 .0003 -.0030
	O5w .75 .3280 .25 .0344 .018 .063 .022 0 -.002 0
	O6w .5 .5921 .3326 .0235 .023 .026 .022 0 0 -.001
	H1 .648 .3936 .226 .1
	H2 .6272 .650 .319 .1
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Georgerobinsonite
	Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E
	The Canadian Mineralogist 49 (2011) 865-876
	Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the
	Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure
	Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA
	_database_code_amcsd 0018387
	7.6256 11.6081 6.8961 90 90 90 *Pmmn
	.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)
	Pb(1) .25 .59690 .12642 .02183 .0256 .0233 .0166 0 0 -.0031
	Pb(2) .50242 .25 .41670 .02025 .0147 .0239 .0221 0 -.00089 0
	Cr .25 .49812 .6485 .0129 .0134 .0135 .0117 0 0 -.0015
	Cl .25 .2284 .0720 .5 .0217
	F .75 .25 .1327 .027 .035 .034 .011 0 0 0
	O(1) .4226 .5121 .7804 .0264 .023 .033 .023 .006 -.003 -.006
	O(2) .25 .6070 .4931 .0232 .028 .021 .021 0 0 -.000
	O(3) .25 .3763 .5289 .0235 .023 .016 .032 0 0 -.003
	Oh4 .4388 .75 .2306 .0166 .014 .019 .016 0 -.001 0
	H .550 .75 .159 .02
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	Groatite
	Cooper M A, Hawthorne F C, Ball N A, Ramik R A, Roberts A C
	The Canadian Mineralogist 47 (2009) 1225-1235
	Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group
	from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and
	crystal structure
	Locality: Tanco Pegmatite, Bernic Lake, Manitoba, Canada
	_database_code_amcsd 0006298
	12.5435 12.4324 6.7121 90 115.332 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)
	NaA2 0 -.0439 .25 .0284 .0196 .0455 .0152 0 .0029 0
	CaM1 0 .28883 .25 .0119 .0116 .0098 .0155 0 .0070 0
	MnM2 .28243 .66313 .36073 .01008 .0111 .0080 .0112 .0001 .0049 .0002
	PT1 0 .68999 .25 .0085 .0090 .0078 .0081 0 .0031 0
	PT2 .21416 .89604 .11515 .0089 .0104 .0070 .0091 .0000 .0041 .0000
	O1 .4548 .7384 .5439 .0119 .0117 .0132 .0094 .0002 .0032 -.0019
	O2 .0980 .6176 .2399 .0136 .0111 .0094 .0198 .0006 .0062 -.0009
	O3 .3403 .6683 .0986 .0129 .0161 .0117 .0114 -.0018 .0064 -.0003
	Oh4 .1528 .4220 .3401 .0144 .0121 .0085 .0226 .0023 .0074 .0011
	O5 .2178 .8289 .3081 .0115 .0105 .0115 .0110 .0010 .0032 .0005
	O6 .3501 .5020 .4042 .0127 .0120 .0093 .0163 -.0006 .0057 .0020
	H .128 .4970 .305 .07
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	Alfredstelznerite
	Cooper M A, Hawthorne F C, Galliski M A, Marquez-Zavalia M F
	The Canadian Mineralogist 48 (2010) 129-138
	The crystal structure of alfredstelznerite, Ca4(H2O)4[B4O4(OH)6]4(H2O)15,
	a complex hydroxy-hydrated calcium borate mineral
	Locality: Santa Rosa mine, Sijes, Salta, Argentina
	_database_code_amcsd 0006321
	12.161 40.477 10.1843 90 90 90 Pca2_1
	atom x y z Uiso
	Ca1 .6291 .28603 0 .0072
	Ca2 .3727 .25068 .5036 .0072
	Ca3 .3751 .48287 .4737 .0072
	Ca4 .3769 .01816 .4861 .0072
	B1 .7719 .3525 .157 .0063
	B2 .9306 .3374 .292 .0063
	B3 .7846 .2940 .223 .0063
	B4 .6132 .2735 .337 .0063
	B5 .2451 .1828 .182 .0063
	B6 .4178 .1968 .301 .0063
	B7 .2825 .2412 .226 .0063
	B8 .1124 .2609 .341 .0063
	B9 .2435 .0869 .809 .0063
	B10 .4124 .0726 .690 .0063
	B11 .2815 .0276 .763 .0063
	B12 .1145 .0049 .651 .0063
	B13 .2770 .4159 .823 .0063
	B14 .4378 .4307 .683 .0063
	B15 .2861 .4741 .752 .0063
	B16 .1204 .4952 .635 .0063
	O1 .7320 .3214 .1468 .0124
	O2 .8555 .3616 .2330 .0124
	O3 .8939 .3035 .2669 .0124
	O4 .7176 .2862 .3405 .0124
	O5 .2310 .2141 .1483 .0124
	O6 .3270 .1736 .2679 .0124
	O7 .3922 .2318 .2713 .0124
	O8 .2153 .2488 .3414 .0124
	O9 .2275 .0534 .8435 .0124
	O10 .3160 .0942 .7117 .0124
	O11 .3880 .0376 .7198 .0124
	O12 .2168 .0199 .6429 .0124
	O13 .2354 .4479 .8279 .0124
	O14 .3622 .4069 .7476 .0124
	O15 .3965 .4653 .7089 .0124
	O16 .2247 .4818 .6312 .0124
	OH17 .7221 .3761 .0780 .0124
	OH18 .9320 .3419 .4356 .0124
	OH19 .0413 .3420 .2342 .0124
	OH20 .7860 .2661 .1320 .0124
	OH21 .5563 .2714 .2192 .0124
	OH22 .5698 .2621 .4510 .0124
	OH23 .1808 .1587 .1248 .0124
	OH24 .4374 .1955 .4448 .0124
	OH25 .5150 .1874 .2293 .0124
	OH26 .2886 .2695 .1343 .0124
	OH27 .0560 .2638 .2233 .0124
	OH28 .0665 .2734 .4537 .0124
	OH29 .1727 .1088 .8603 .0124
	OH30 .5115 .0827 .7640 .0124
	OH31 .4423 .0742 .5451 .0124
	OH32 .2835 -.0018 .8507 .0124
	OH33 .0563 .0028 .7671 .0124
	OH34 .0618 -.0058 .5406 .0124
	OH35 .2272 .3932 .9079 .0124
	OH36 .5491 .4266 .7297 .0124
	OH37 .4323 .4259 .5409 .0124
	OH38 .2863 .5031 .8380 .0124
	OH39 .0620 .4941 .7520 .0124
	OH40 .0657 .5056 .5289 .0124
	Wat41 .6341 .2294 -.0454 .0124
	Wat42 .3851 .3095 .4871 .0124
	Wat43 .3968 .5453 .4749 .0124
	Wat44 .3727 -.0379 .5583 .0124
	Wat45 .3760 .3605 .066 .034
	Wat46 .622 .4045 .405 .059
	Wat47 .7685 .2072 .7582 .026
	Wat48 .4421 .1899 .957 .052
	Wat49 .2554 .3259 .262 .039
	Wat50 .7086 .1354 .988 .042
	Wat51 .5579 .1195 .200 .039
	Wat52 .6354 .1785 .570 .034
	Wat53 .528 .3463 .325 .092
	Wat54 .7307 .4405 .2048 .024
	Wat55 .7296 .0613 .732 .041
	Wat56 .4424 00794 .037 .050
	Wat57 .477 .4208 .158 .109
	Wat58 .5592 .1467 .799 .043
	Wat59 .635 .0892 .415 .066
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Alflarsenite
	Grice J D, Raade G, Cooper M A
	The Canadian Mineralogist 48 (2010) 255-266
	Alflarsenite: Structure and relationship to other Be-Si
	and zeolite framework structures
	Locality: Larvik plutonic complex, Oslo Region, Norway
	Note: x-coordinate for O7 changed by authors
	_database_code_amcsd 0006328
	7.1222 19.8378 9.8071 90 111.287 90 P2_1
	atom x y z occ Uiso
	Na1 .3865 .2616 -.0033 .0332
	Na2 .3576 .5020 .5844 .0172
	Ca1 .8976 .5 .0023 .0185
	Ca2 .7780 .5021 .4203 .0327
	Ca3 .1297 .7472 .3560 .0167
	Ca4 .7858 .7484 .6437 .0269
	Be1 .3433 .2501 .6788 .007
	Be2 .0913 .4238 .3216 .008
	Be3 -.2453 .5752 .6661 .008
	Be4 .6498 .2482 .3082 .018
	Be5 .7870 .4209 .6835 .014
	Be6 .0849 .5775 .3132 .006
	Si1 .5275 .6259 .8277 .0078
	Si2 .1005 .6279 .6155 .0104
	Si3 .6911 .3742 .1656 .0097
	Si4 .5079 .3741 .3984 .0112
	Si5 .6965 .6278 .1717 .0154
	Si6 .4881 .6293 .3880 .0145
	Si7 .5234 .3748 .8338 .0162
	Si8 .1111 .3731 .6080 .0127
	O1 .5465 .6318 .0017 .0142
	O2 .6915 .5734 .8170 .0086
	O3 .3014 .5920 .7373 .0089
	O4 .5370 .7008 .7675 .019
	O5 -.0718 .6332 .6877 .015
	O6 .1578 .7047 .5851 .009
	O7 .0388 .5797 .4780 .013
	O8 .8938 .4140 .1772 .016
	O9 .5914 .4096 .2702 .013
	O10 .7249 .2976 .2030 .024
	O11 .5207 .3871 .9965 .0213
	O12 .5939 .2978 .4299 .0048
	O13 .2618 .3669 .3277 .014
	O14 .5860 .4239 .5310 .019
	O15 .7713 .7024 .2300 .019
	O16 .8734 .5756 .1872 .024
	O17 .5550 .5956 .2555 .018
	O18 .5749 .7035 .4185 .016
	O19 .2492 .6348 .3315 .030
	O20 .5864 .5767 .5267 .014
	O21 .7093 .4162 .8224 .013
	O22 .3089 .4105 .7240 .014
	O23 .5038 .2940 .8110 .011
	O24 .0450 .4250 .4695 .017
	O25 .1702 .2998 .5724 .032
	O26 .9476 .3687 .6862 .023
	OH27 -.1154 .5001 .6929 .016
	OH28 .1868 .5005 .3118 .014
	Wat1 .1548 .4286 .9894 .052
	Wat2 .1374 .5905 .0008 .040
	Wat3 .151 .7373 .1235 .67 .033
	Wat4 .879 .7883 .9036 .77 .033
	Wat5 .037 .7283 .8731 .56 .033
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Alflarsenite
	Raade G, Grice J D, Cooper M A
	European Journal of Mineralogy 21 (2009) 893-900
	Alflarsenite, a new beryllium-silicate zeolite from a syenitic pegmatite in the
	Larvik plutonic complex, Oslo Region, Norway
	Locality: Larvik plutonic complex, Oslo Region, Norway
	_database_code_amcsd 0007332
	7.1222 19.8378 9.8071 90 111.287 90 P2_1
	atom x y z occ Uiso
	Ca1 .8972 .5 .0019 .0191
	Ca2 .7782 .5020 .4199 .0355
	Ca3 .1299 .7471 .3563 .0167
	Ca4 .7860 .7483 .6440 .0287
	Na1 .3880 .2615 .0021 .0336
	Na2 .3570 .5019 .5839 .816 .0036
	Ca2 .3570 .5019 .5839 .184 .0036
	Si1 .5271 .6267 .8278 .0096
	Si2 .1013 .6283 .6159 .0103
	Si3 .6920 .3740 .1659 .0085
	Si4 .5070 .3736 .3978 .0100
	Si5 .6969 .6268 .1718 .0154
	Si6 .4875 .6290 .3881 .0161
	Si7 .5228 .3751 .8346 .0183
	Si8 .1116 .3735 .6075 .0150
	Be1 .339 .249 .679 .011
	Be2 .094 .4203 .321 .008
	Be3 -.238 .5771 .670 .001
	Be4 .655 .2477 .310 .016
	Be5 .784 .4249 .682 .015
	Be6 .081 .5751 .313 .015
	O1 .545 .6316 .001 .014
	O2 .693 .5741 .8178 .016
	O3 .303 .5915 .7390 .010
	O4 .537 .7017 .7691 .019
	O5 -.073 .6337 .6852 .018
	O6 .162 .7046 .5852 .014
	O7 .043 .5794 .4783 .006
	O8 .892 .4135 .1765 .016
	O9 .592 .4098 .2684 .014
	O10 .723 .2971 .2034 .028
	O11 .523 .3875 .999 .023
	O12 .595 .2981 .4300 .003
	O13 .263 .3671 .3293 .019
	O14 .588 .4250 .533 .019
	O15 .774 .7012 .2322 .012
	O16 .872 .5746 .1880 .020
	O17 .558 .5955 .2576 .020
	O18 .570 .7037 .4176 .012
	O19 .248 .6339 .328 .028
	O20 .586 .5767 .527 .023
	O21 .709 .4169 .8207 .013
	O22 .305 .4105 .721 .012
	O23 .504 .2948 .8103 .010
	O24 .043 .4241 .471 .018
	O25 .171 .2996 .574 .036
	O26 .947 .3687 .6861 .019
	OH27 -.118 .4996 .6932 .014
	OH28 .189 .5004 .3122 .019
	Wat1 .155 .4286 .990 .053
	Wat2 .139 .5902 .002 .040
	Wat3 .149 .7415 .122 .142
	Wat4 .874 .7881 .902 .66 .011
	Wat5 .035 .7307 .874 .55 .008
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	Braithwaiteite
	Hawthorne F C, Cooper M A, Paar W H
	Journal of Coordination Chemistry 61 (2008) 15-29
	The crystal structure of braithwaiteite
	Locality: Black Vein, Laurani, Bolivia
	_database_code_amcsd 0013021
	7.0308 9.8823 10.6754 106.973 104.274 93.839 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)
	As1 .33679 .29089 .14914 .01027 .01158 .00838 .01128 .00194 .00300 .00382
	As2 .85183 .64761 .27315 .01285 .01238 .01489 .01110 .00178 .00301 .00417
	As3 .29261 .80421 .14848 .00982 .01070 .00859 .01085 .00183 .00261 .00436
	SbM1 .5 0 0 .57 .01032 .0101 .0092 .0131 .00217 .00425 .00460
	TiM1 .5 0 0 .43 .01032 .0101 .0092 .0131 .00217 .00425 .00460
	SbM2 0 0 0 .39 .01008 .0092 .0096 .0122 .00181 .00258 .0048
	TiM2 0 0 0 .61 .01008 .0092 .0096 .0122 .00181 .00258 .0048
	Cu1 0 .5 0 .0126 .0132 .0127 .0107 -.0008 .0032 .0027
	Cu2 0 .5 .5 .0208 .0257 .0233 .0156 .0095 .0041 .0096
	Cu3 .5 .5 0 .0134 .0136 .0150 .0108 -.0012 .0024 .0045
	Cu4 .41498 .60770 .31466 .01492 .0233 .0103 .0141 .00451 .00782 .00565
	Na .5 0 .5 .0327 .0482 .0207 .0227 .0007 .0040 .0034
	O1 .1251 .1897 .1387 .0147 .0133 .0111 .0190 -.0007 .0057 .0032
	O2 .4046 .4122 .3070 .0156 .0252 .0093 .0104 .0031 .0031 .0018
	O3 .2950 .3691 .0270 .0153 .0171 .0170 .0127 .0010 .0011 .0086
	O4 .5186 .1875 .1432 .0153 .0139 .0128 .0172 .0062 .0021 .0027
	O5 .8864 .8279 .2975 .0229 .0303 .0145 .0278 .0031 .0148 .0069
	O6 .6063 .5847 .1952 .0159 .0121 .0226 .0116 -.0006 .0035 .0041
	O7 .8854 .6426 .4322 .0202 .0282 .0240 .0112 .0108 .0052 .0085
	O8 .0109 .5682 .1936 .0172 .0155 .0202 .0141 .0034 .0035 .0033
	O9 .3670 .7935 .3067 .0134 .0193 .0113 .0108 .0047 .0031 .0055
	O10 .4887 .9014 .1343 .0144 .0112 .0172 .0170 -.0013 .0023 .0109
	O11 .2288 .6453 .0263 .0149 .0181 .0107 .0159 .0001 .0073 .0026
	O12 .1026 .9033 .1408 .0140 .0140 .0165 .0159 .0075 .0056 .0093
	O13 .7789 .0201 .0668 .0146 .0092 .0175 .0160 .0015 .0017 .0051
	OW1 -.0908 .3502 .3133 .0248 .0250 .0291 .0187 .0040 .0059 .0055
	OW2 .3400 .6427 .4888 .0201 .0283 .0191 .0152 .0088 .0064 .0075
	OW3 .2501 .1224 .4147 .0484 .070 .044 .0237 .028 .0044 .0033
	OW4 .7341 .0903 .4016 .0375 .046 .0227 .040 .0126 .0097 .0035
	H1 .006 .310 .268 .05
	H2 -.221 .292 .273 .05
	H3 .308 .738 .527 .05
	H4 .450 .637 .562 .05
	H5 .183 .193 .466 .05
	H6 .178 .091 .318 .05
	H7 .683 .033 .306 .05
	H8 .851 .054 .444 .05
	H9 .990 .859 .262 .05
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	Fluorite
	Cheetham A, Fender B, Cooper M
	Journal of Physics C: Solid State Physics 4 (1971) 3107-3121
	Defect structure of calcium fluoride containing excess anions: I. Bragg
	scattering
	_cod_database_code 1000043
	_database_code_amcsd 0013161
	5.462 5.462 5.462 90 90 90 Fm3m
	atom x y z
	Ca 0 0 0
	F .25 .25 .25
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	Brunogeierite
	Welch M D, Cooper M A, Hawthorne F C
	Mineralogical Magazine 65 (2001) 441-444
	The crystal structure of brunogeierite, Fe2GeO4 spinel
	Locality: Tsumeb, Namibia
	_database_code_amcsd 0014558
	8.4127 8.4127 8.4127 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ge .125 .125 .125 .0046 .0046 .0046 .0046 0 0 0
	Fe .5 .5 .5 .0061 .0061 .0061 .0061 .0004 .0004 .0004
	O .2466 .2466 .2466 .0062 .0062 .0062 .0062 -.0015 -.0015 -.0015
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	Bobkingite
	Hawthorne F C, Cooper M A, Grice J D, Roberts A C, Hubbard N
	Mineralogical Magazine 66 (2002) 301-311
	Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2,
	a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK
	Locality: New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK
	_database_code_amcsd 0018486
	10.3113 6.7606 8.8386 90 111.468 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)
	Cu1 .5 .5 0 .0100 .0104 .0102 .0113 0 .0061 0
	Cu2 .46706 .5 .32367 .0135 .0175 .0127 .0097 0 .0043 0
	Cu3 .25 .25 0 .0116 .0133 .0093 .0121 -.0013 .0044 .0006
	Cl .1835 .5 .2129 .0163 .0138 .0173 .0192 0 .0078 0
	O1 .4469 .3104 .1456 .0139 .0146 .0124 .0143 .0033 .0049 -.0012
	O2 .2661 .5 -.1032 .0178 .0339 .0108 .0084 0 .0073 0
	O3 .5 .3127 .5 .0224 .0345 .0173 .0135 0 .0066 0
	Wat4 .1931 .5 .5669 .0414 .0637 .0405 .0193 0 .0143 0
	H1 .512 .199 .170 .03
	H2 .254 .5 -.219 .03
	H3 .437 .199 .470 .5 .03
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	Khinite
	Cooper M A, Hawthorne F C, Back M E
	Mineralogical Magazine 72 (2008) 763-770
	The crystal structure of khinite and polytypism in khinite and parakhinite
	Locality: the Empire mine, Tombstone, Arizona, USA
	_database_code_amcsd 0014583
	5.7491 10.0176 24.022 90 90 90 Fdd2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .25 .25 .14110 .01294 .0140 .0100 .0148 -.0009 0 0
	Te .5 0 .23761 .0072 .0130 .0007 .0079 -.0018 0 0
	Cu(1) 0 0 .29395 .0082 .0067 .0059 .0119 -.0031 0 0
	Cu(2) .25 .25 .29509 .0052 .0033 .0044 .0079 -.0002 0 0
	Cu(3) .75 .25 .23861 .0089 .0149 .0031 .0088 -.0043 0 0
	OH(1) .153 .1158 .3466 .010
	O(2) .615 .1266 .1834 .009
	O(3) .2002 .1007 .2401 .009
	O(4) .6278 .1221 .2931 .012
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	Khinite-4O
	Cooper M A, Hawthorne F C, Back M E
	Mineralogical Magazine 72 (2008) 763-770
	The crystal structure of khinite and polytypism in khinite and parakhinite
	Locality: the Empire mine, Tombstone, Arizona, USA
	Note: This is the original khinite, now distinguished as the -4O polytype
	_database_code_amcsd 0014584
	5.7491 10.0176 24.022 90 90 90 Fdd2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .25 .25 .14110 .01294 .0140 .0100 .0148 -.0009 0 0
	Te .5 0 .23761 .0072 .0130 .0007 .0079 -.0018 0 0
	Cu(1) 0 0 .29395 .0082 .0067 .0059 .0119 -.0031 0 0
	Cu(2) .25 .25 .29509 .0052 .0033 .0044 .0079 -.0002 0 0
	Cu(3) .75 .25 .23861 .0089 .0149 .0031 .0088 -.0043 0 0
	OH(1) .153 .1158 .3466 .010
	O(2) .615 .1266 .1834 .009
	O(3) .2002 .1007 .2401 .009
	O(4) .6278 .1221 .2931 .012
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	Tedhadleyite
	Cooper M A, Hawthorne F C
	Mineralogical Magazine 73 (2009) 227-234
	The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the
	Clear Creek Claim, San Benito County, California
	Locality: the Clear Creek Claim, San Benito County, California
	_database_code_amcsd 0014591
	7.0147 11.8508 12.5985 115.583 82.575 100.619 A-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)
	Hg1 0 .5 0 .0235 .0273 .0256 .0166 .0086 -.0021 .0058
	Hg2 .63055 .67337 .47594 .02616 .0293 .0272 .0209 .0058 .0047 .0101
	Hg3 .87144 .64468 .30156 .02875 .0330 .0293 .0228 .0059 .0072 .0116
	Hg4 .54443 .60364 .72377 .02892 .0384 .0249 .0268 .0109 -.0081 .0098
	Hg5 .70164 .47617 .79600 .0383 .0467 .0436 .0336 .0222 -.0086 .0168
	Hg6 .14552 .57424 .55608 .03332 .0255 .0344 .0392 -.0034 -.0141 .0143
	O1 .0950 .6166 .1643 .022 .018 .029 .027 .008 .003 .019
	O2 .4250 .6725 .6158 .020 .027 .016 .019 .001 -.001 .010
	I .34154 .82199 .41700 .0304 .0320 .0329 .0242 .0145 -.0040 .0055
	Cl .8910 .8307 .6725 .595 .0411 .0379 .043 .0266 -.0100 -.0008 .0065
	Br .8910 .8307 .6725 .405 .0411 .0379 .043 .0266 -.0100 -.0008 .0065
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	Steverustite
	Cooper M A, Hawthorne F C, Moffatt E
	Mineralogical Magazine 73 (2009) 235-250
	Steverustite, Pb5(OH)5[Cu(SO3S)3](H2O)2, a new thiosulphate mineral from the
	Frongoch mine dump, Devils Bridge, Ceredigion, Wales: description and crystal structure
	Locality: Frongoch mine dump, Devils Bridge, Ceredigion, Wales
	_database_code_amcsd 0014592
	12.5631 8.8963 18.0132 90 96.459 90 P2_1/n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .65998 .09839 .54396 .02733 .0301 .0261 .0265 -.00422 .00625 .00290
	Pb2 .28510 .09642 .21832 .02820 .0325 .0288 .0227 -.00231 .00053 -.00006
	Pb3 .85984 .37204 .49493 .03122 .0261 .0307 .0354 -.00299 -.00346 -.00109
	Pb4 .57981 .36011 .37496 .02494 .0233 .0250 .0260 .00163 .00082 .00113
	Pb5 .78717 .06441 .35321 .03227 .0403 .0320 .0255 .00996 .00810 -.00092
	Cu .30114 .28737 .58767 .0267 .0260 .0331 .0211 .0008 .0029 .0006
	S6+1 .29060 .2829 .40072 .0204 .0224 .0202 .0178 .0000 -.0013 -.0005
	S6+2 .53847 .2457 .69203 .0233 .0194 .0323 .0182 .0000 .0020 -.0017
	S6+3 .0825 .3395 .68340 .0276 .0278 .0307 .0258 .0052 .0098 .0055
	S2-4 .4014 .2870 .49234 .0244 .0208 .0320 .0196 .0005 -.0009 -.0002
	S2-5 .3837 .2972 .70413 .0299 .0208 .0486 .0206 .0018 .0033 -.0003
	S2-6 .1226 .2913 .57811 .0308 .0242 .0445 .0234 .0034 .0017 .0012
	O1 .3503 .2731 .3351 .0333 .030 .049 .020 -.003 .001 -.013
	O2 .2298 .4238 .3982 .0261 .031 .027 .019 .009 .000 -.001
	O3 .2210 .1525 .4077 .0351 .032 .033 .036 -.006 -.013 .012
	O4 .5760 .3441 .6357 .045 .032 .055 .055 .007 .027 .020
	O5 .5442 .0874 .6699 .044 .032 .038 .062 -.002 .011 -.009
	O6 .6033 .2677 .7632 .052 .029 .099 .027 .006 -.006 -.023
	O7 -.0241 .4031 .6714 .046 .034 .058 .048 .006 .010 -.010
	O8 .0841 .1994 .7250 .057 .104 .038 .033 .000 .030 .004
	O9 .1602 .4443 .7198 .0371 .042 .047 .022 -.009 .003 .003
	Oh10 .6727 .3453 .4968 .0222 .026 .025 .015 .004 .001 -.001
	Oh11 .8243 .1101 .4860 .0282 .032 .029 .025 .012 .007 .003
	Oh12 .7683 .3260 .3702 .0238 .026 .029 .018 -.004 .007 -.005
	Oh13 .6198 .1052 .3920 .0271 .032 .024 .026 -.003 .008 -.004
	Oh14 .7839 .2106 .6392 .047 .029 .053 .057 .014 -.008 -.024
	Wat15 -.0013 .2895 .3997 .074 .030 .152 .043 .017 .012 .020
	Wat16 .4551 .4840 .1400 .67 .071 .053 .043 .109 .007 -.023 -.022
	H1 .665 .435 .527 .038
	H2 .883 .040 .500 .038
	H3 .800 .383 .332 .038
	H4 .570 .034 .365 .038
	H5 .844 .148 .660 .038
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	Arisite-(La)
	Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
	Rowe R, Gault R A, Poirier G
	Mineralogical Magazine 74 (2010) 257-268
	Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
	with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
	Locality: Aris, Namibia
	Note: x-coordinate of O1 adjusted to special position
	_database_code_amcsd 0014599
	5.1131 5.1131 8.6759 90 90 120 P-6m2
	atom x y z occ Uiso
	Na 0 0 0 .014
	La 2/3 1/3 .72574 .45 .011
	Ce 2/3 1/3 .72574 .42 .011
	Nd 2/3 1/3 .72574 .04 .011
	Pr 2/3 1/3 .72574 .01 .011
	Sm 2/3 1/3 .72574 .01 .011
	Ca 2/3 1/3 .72574 .07 .011
	C1 1/3 2/3 .804 .012
	O1 .628 .814 .8013 .019
	F 2/3 1/3 0 .032
	C2 0 0 .5 .63 .044
	O2 .847 .153 .5 .63 .025
	F2 .847 .153 .5 .24 .025
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	Arisite-(Ce)
	Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
	Rowe R, Gault R A, Poirier G
	Mineralogical Magazine 74 (2010) 257-268
	Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
	with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
	Locality: Aris, Namibia
	Note: x-coordinate of O1 adjusted to special position
	_database_code_amcsd 0014600
	5.1109 5.1109 8.6713 90 90 120 P-6m2
	atom x y z occ Uiso
	Na 0 0 0 .013
	Ce 2/3 1/3 .72542 .47 .012
	La 2/3 1/3 .72542 .40 .012
	Pr 2/3 1/3 .72542 .02 .012
	Nd 2/3 1/3 .72542 .05 .012
	Sm 2/3 1/3 .72542 .01 .012
	Ca 2/3 1/3 .72542 .05 .012
	C1 1/3 2/3 .805 .013
	O1 .6252 .8126 .8013 .017
	F 2/3 1/3 0 .031
	C2 0 0 .5 .70 .033
	O2 .8475 .1525 .5 .70 .026
	F2 .8475 .1525 .5 .20 .026
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	Davidlloydite
	Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T
	Mineralogical Magazine 76 (2012) 45-57
	Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral
	from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia:
	description and crystal structure
	Locality: Tsumeb, Namibia
	_database_code_amcsd 0018665
	5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 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)
	Zn1 0 .5 .5 .6 .01224 .01425 .01053 .01178 .00005 .00126 -.00034
	Cu1 0 .5 .5 .4 .01224 .01425 .01053 .01178 .00005 .00126 -.00034
	Zn2 .23922 .10407 .81081 .01226 .01204 .01445 .01032 .00121 -.00006 -.00186
	As .25896 .87032 .33696 .00916 .00945 .00940 .00869 .00002 .00025 -.00125
	O1 .4813 .7644 .2259 .0153 .0119 .0140 .0204 .0007 .0037 -.0045
	O2 .2996 .8972 .6354 .0146 .0200 .0144 .0096 .0007 -.0011 -.0027
	O3 .0271 .7464 .3144 .0128 .0103 .0120 .0157 -.0014 -.0012 .0002
	O4 .1952 .0630 .1674 .0145 .0209 .0116 .0105 .0015 -.0006 .0010
	O5 .2229 .4010 .2726 .0181 .0253 .0134 .0155 .0009 .0037 -.0007
	O6 .2711 .5420 .7834 .0208 .0190 .0162 .0270 -.0009 .0031 -.0008
	H1 .211 .2762 .245 .039
	H2 .232 .453 .101 .056
	H3 .413 .481 .748 .058
	H4 .325 .662 .791 .059
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	Carlosbarbosaite
	Atencio D, Roberts A C, Cooper M A, Menezes L A D, Coutinho J M V,
	Stirling J A R, Venance K E, Ball N A, Moffatt E, Chaves M L S C,
	Brandao P R G, Romano A W
	Mineralogical Magazine 76 (2012) 75-90
	Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl
	niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil:
	description and crystal structure
	Locality: Jaguaracu, Minas Gerais, Brazil
	_database_code_amcsd 0018664
	14.150 10.395 7.529 90 90 90 Cmcm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U .26634 .27203 .25 .72 .0343 .0279 .0507 .0244 -.0115 0 0
	Nb .38296 .5 0 .40 .0281 .0133 .0443 .0267 0 0 -.0001
	Ta .38296 .5 0 .26 .0281 .0133 .0443 .0267 0 0 -.0001
	Si .38296 .5 0 .13 .0281 .0133 .0443 .0267 0 0 -.0001
	Ti .38296 .5 0 .11 .0281 .0133 .0443 .0267 0 0 -.0001
	Al .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001
	Fe .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001
	Ca .5 .0127 .25 .28 .057 .055 .051 .066 0 0 0
	Nd .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0
	Ce .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0
	O(1) .3622 .1709 .25 .061 .097 .062 .023 -.047 0 0
	O(2) .1633 .3780 .25 .047 .048 .058 .035 -.000 0 0
	O(3) .3020 .3571 -.0398 .035 .026 .052 .027 -.015 -.003 .008
	O(4) .3758 .4471 .25 .026 .022 .042 .015 -.001 0 0
	OH .5 .6106 .0547 .033 .027 .051 .022 0 0 .003
	Wat .5 .126 -.022 .096 .12 .10 .075 0 0 -.001
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	Maxwellite
	Cooper M A, Hawthorne F C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 97-104
	The crystal structure of maxwellite
	Locality: Squaw Creek, Catron County, New Mexico, USA
	_database_code_amcsd 0014873
	6.667 8.781 7.134 90 114.50 90 C2/c
	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 .6703 .25 .54 .0129 .0095 .0268 0 .0019 0
	Ca 0 .6703 .25 .37 .0129 .0095 .0268 0 .0019 0
	Fe 0 0 0 .402 .0089 .0108 .0131 .0000 .0028 -.0020
	Al 0 0 0 .233 .0089 .0108 .0131 .0000 .0028 -.0020
	Ti 0 0 0 .140 .0089 .0108 .0131 .0000 .0028 -.0020
	Mg 0 0 0 .226 .0089 .0108 .0131 .0000 .0028 -.0020
	As 0 .3172 .25 .0076 .0096 .0073 0 .0024 0
	O1 .1883 .4343 .4176 .0122 .0220 .0147 -.0042 .0021 -.0043
	O2 .1069 .2094 .1178 .0137 .0160 .0163 -.0001 .0079 -.0045
	F 0 .9274 .25 .74 .0160 .0143 .0150 0 .0054 0
	OH 0 .9274 .25 .26 .0160 .0143 .0150 0 .0054 0
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