Paulkellerite
	Grice J D, Groat L A
	American Mineralogist 73 (1988) 873-875
	Crystal structure of paulkellerite
	11.380 6.660 9.653 90 115.34 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)
	Bi .23390 .03767 .08772 .0109 .0070 .0118 .0002 .0035 -.0002
	Fe .5 0 .5 .0095 .007 .0115 -.0006 .0036 -.0010
	P 0 .1719 .25 .011 .004 .012 0 .005 0
	O1 .1046 .0416 .2386 .026 .009 .017 .001 .015 .003
	O2 .4346 .1929 .6078 .011 .009 .017 .000 .003 -.005
	O3 .3512 .1726 .9820 .017 .011 .013 .004 .008 .005
	OH .3806 .1410 .3015 .012 .013 .016 -.004 .000 .000
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Sclarite
	Grice J D, Dunn P J
	American Mineralogist 74 (1989) 1355-1359
	Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally
	and tetrahedrally coordinated zinc: Description and structure refinement
	16.110 5.432 15.041 90 95.490 90 A2/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn1 .4097 .2546 .2796 0.0191 0.0079 0.0118 -.0002 0.0055 0.0006
	Zn2 .1851 .2697 .1980 0.0185 0.0086 0.0094 .0002 0.0068 0.0011
	Zn3 .0386 .2460 .3615 0.0181 0.0082 0.0066 -.0005 0.0053 0.0000
	Zn4 .25 .2855 0 0.0235 0.0149 0.0059 0 0.0055 0
	C .3757 .4185 .4770 0.015 0.013 0.007 -0.003 0.006 -0.003
	O1 .0740 .2491 .4933 0.031 0.014 0.005 -0.008 0.003 0.001
	O2 .4759 .0945 .1752 0.023 0.007 0.009 0.000 0.005 0.000
	O3 .1197 .0812 .2901 0.018 0.010 0.004 -0.001 0.005 -0.002
	O4 .0675 .4341 .1445 0.021 0.009 0.004 -0.003 0.003 -0.002
	O5 .2442 .4702 .1064 0.022 0.013 0.004 0.000 0.007 0.002
	O6 .3457 .0704 .0314 0.033 0.026 0.010 0.013 0.005 -0.005
	O7 .3518 .4306 .3924 0.021 0.014 0.005 0.000 0.003 0.001
	O8 .2990 .0848 .2238 0.017 0.009 0.007 -0.001 0.005 0.002
	H26 .440 .160 .126 .040
	H35 .164 .060 .342 .040
	H41 .070 .472 .078 .040
	H57 .285 .112 .410 .040
	H86 .313 .048 .162 .040
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Montesommaite
	Rouse R C, Dunn P J, Grice J D, Schlenker J L, Higgins J B
	American Mineralogist 75 (1990) 1415-1420
	Montesommaite, (K,Na)9Al9Si23O64.10H2O, a new zeolite related to merlinoite and
	the gismondine group
	7.141 7.141 17.307 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z occ Uiso
	K 0 0 .5 .025
	Al 0 .463 .090 .29 .005
	Si 0 .463 .090 .71 .005
	O1 0 .25 .116 .015
	O2 .1857 .436 7/8 .015
	O3 0 0 0 .015
	Wat 0 .25 .342 .25 .015
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ashburtonite
	Grice J D, Nickel E H, Gault R A
	American Mineralogist 76 (1991) 1701-1707
	Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs, Western
	Australia: Description and structure determination
	14.234 14.234 6.103 90 90 90 I4/m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si .1167 .1064 .5 .0086 .0058 .0086 -.0008 0 0
	Cu .25 .25 .25 .0148 .0104 .0112 -.0074 .0022 -.0014
	Pb .21321 .03767 0 .0168 .008 .0151 -.0001 0 0
	C .438 .859 0 .021 .068 .049 -.01 0 0
	O1 .1637 .1455 .7245 .008 .009 .016 -.006 -.004 .004
	O2 .3027 .1805 0 .004 .013 .013 -.001 0 0
	O3 .0062 .1305 .5 .003 .029 .026 -.001 0 0
	O4 .3505 .8641 0 .062 .062 .067 -.011 0 0
	O5 .4839 .8556 .1782 .057 .081 .102 -.005 -.018 .023
	Cl 0 0 0 .016 .016 .022 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cianciulliite
	Grice J D, Dunn P J
	American Mineralogist 76 (1991) 1711-1747
	The crystal structure of cianciulliite, Mn(Mg,Mn)2Zn2(OH)10*2-4H2O
	15.405 6.344 5.562 90 101.23 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)
	Mn 0 0 0 .0209 .0087 .0102 0 .0043 0
	Mg 0 .2536 .5 .0210 .0070 .0100 0 .0053 0
	Zn .6187 0 .0705 .0200 .0105 .0112 0 .0034 0
	O1 .0671 0 .371 .020 .018 .019 0 .004 0
	O2 .5777 0 .385 .024 .011 .010 0 .007 0
	O3 .7485 0 .166 .024 .064 .017 0 .006 0
	O4 .4175 .2538 .1282 .020 .010 .013 -.003 .002 -.004
	O5 .2479 .064 .315 .032 .033 .018 .001 .008 .003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #25 from Guanajuato
	Note: U(1,2) of WatB/NaB changed to match symmetry constraints
	10.410 10.410 13.845 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)
	CaA 1/3 2/3 .2437 .5 .0189
	NaB 1/3 2/3 .0404 .047 0.0685 0.0685 0.0695 .03425 0 0
	WatB 1/3 2/3 .0404 .167 0.0685 0.0685 0.0695 .03425 0 0
	KC 0 0 .25 0.0206 0.0206 0.0204 0.0103 0 0
	Si1 .08239 .33642 .11217 0.0100 0.0117 0.0067 0.0053 -.0005 -.0008
	Al2 0 .5 .25 .27 0.0110 0.0101 0.0074 0.0055 0 0
	Be2 0 .5 .25 .73 0.0110 0.0101 0.0074 0.0055 0 0
	O1 .0954 .3835 0 0.0290 0.0222 0.0071 0.0128 0 0
	O2 .1957 .2761 .1342 0.0178 0.0244 0.0160 0.0146 -.0017 -.0029
	O3 .1160 .4730 .1804 0.0145 0.0138 0.0104 0.0074 -.0003 -.0028
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #33 from Tittling
	Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints
	10.404 10.404 13.825 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)
	CaA 1/3 2/3 .2410 .492 .0154
	YA 1/3 2/3 .2410 .008 .0154
	NaB 1/3 2/3 .0349 .060 0.0427 0.0427 0.0900 .02135 0 0
	WatB 1/3 2/3 .0349 .180 0.0427 0.0427 0.0900 .02135 0 0
	KC 0 0 .25 0.0183 0.0183 0.0204 .00915 0 0
	Si1 .08168 .33625 .11257 0.0087 0.0103 0.0073 0.0047 -.0003 -.0007
	Al2 0 .5 .25 .243 0.0098 0.0093 0.0081 0.0049 0 0
	Be2 0 .5 .25 .757 0.0098 0.0093 0.0081 0.0049 0 0
	O1 .0946 .3830 0 0.0298 0.0208 0.0068 0.0129 0 0
	O2 .1951 .2759 .1340 0.0169 0.0230 0.0162 0.0145 -.0022 -.0024
	O3 .1154 .4729 .1804 0.0131 0.0125 0.0112 0.0070 -.0006 -.0024
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #35 from east Siberia
	Note: U(1,2) of WatB/NaB changed to match symmetry constraints
	10.415 10.415 13.763 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)
	CaA 1/3 2/3 .2372 .5 .0159
	WatB 1/3 2/3 .0250 .230 0.0361 0.0361 0.1214 .01805 0 0
	NaB 1/3 2/3 .0250 .112 0.0361 0.0361 0.1214 .01805 0 0
	KC 0 0 .25 0.0186 0.0186 0.0196 0.0093 0 0
	Si1 .07988 .33542 .11324 0.0095 0.0112 0.0069 0.0052 -.0006 -.0011
	Al2 0 .5 .25 .18 0.0080 0.0079 0.0083 0.0040 0 0
	Be2 0 .5 .25 .82 0.0080 0.0079 0.0083 0.0040 0 0
	O1 .0929 .3822 0 0.0332 0.0234 0.0073 0.0146 0 0
	O2 .1939 .2758 .1347 0.0190 0.0256 0.0172 0.0159 -.0033 -.0045
	O3 .1142 .4727 .1807 0.0157 0.0132 0.0112 0.0082 -.0002 -.0030
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #30 from Rossing
	10.396 10.396 13.781 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)
	CaA 1/3 2/3 .2390 .5 .0141
	WatB 1/3 2/3 .0298 .235 0.0548 0.0548 0.0927 0.0274 0 0
	NaB 1/3 2/3 .0298 .087 0.0548 0.0548 0.0927 0.0274 0 0
	KC 0 0 .25 0.0172 0.0172 0.0207 0.0086 0 0
	Si1 .0811 .3363 .1127 0.0075 0.0095 0.0074 0.0043 -.0005 -.0011
	Al2 0 .5 .25 .217 0.0094 0.0048 0.0093 0.0047 0 0
	Be2 0 .5 .25 .783 0.0094 0.0048 0.0093 0.0047 0 0
	O1 .0940 .3837 0 0.0330 0.0225 0.0067 0.0155 0 0
	O2 .1949 .2759 .1342 0.0159 0.0235 0.0188 0.0146 -.0034 -.0046
	O3 .1147 .4733 .1809 0.0120 0.0110 0.0098 0.0060 -.0006 -.0023
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #36 from Jaguaracu
	10.342 10.342 13.777 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)
	CaA 1/3 2/3 .23572 .383 .0046
	YA 1/3 2/3 .23572 .117 .0046
	NaB 1/3 2/3 .0499 .012 0.0578 0.0578 0.0649 0.0289 0 0
	KC 0 0 .25 0.0182 0.0182 0.0216 0.0091 0 0
	Si1 .08132 .33844 .11249 0.0077 0.0107 0.0078 0.0047 -.0004 -.0013
	Al2 0 .5 .25 .160 0.0104 0.0105 0.0083 0.0052 0 0
	Be3 0 .5 .25 .840 0.0104 0.0105 0.0083 0.0052 0 0
	O1 .0946 .3873 0 0.0319 0.0206 0.0080 0.0123 0 0
	O2 .1959 .2779 .1333 0.0168 0.0244 0.0197 0.0154 -.0036 -.0052
	O3 .1158 .4751 .1821 0.0118 0.0129 0.0113 0.0065 0.0005 -.0028
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Milarite
	Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
	American Mineralogist 76 (1991) 1836-1856
	The crystal chemistry of the milarite-group minerals
	sample #37 from Strange Lake
	10.340 10.340 13.758 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)
	CaA 1/3 2/3 .2314 .345 .0084
	YA 1/3 2/3 .2314 .155 .0084
	NaB 1/3 2/3 .050 .005 0.0238 0.0238 0.0327 0.0119 0 0
	KC 0 0 .25 0.0172 0.0172 0.0197 0.0086 0 0
	Si1 .08085 .3380 .11262 0.0069 0.0095 0.0051 0.0041 -.0002 -.0011
	Al2 0 .5 .25 .12 0.0058 0.0048 0.0032 0.0029 0 0
	Be2 0 .5 .25 .88 0.0058 0.0048 0.0032 0.0029 0 0
	O1 .0941 .3872 0 0.0315 0.0203 0.0042 0.0129 0 0
	O2 .1959 .2776 .1327 0.0156 0.0234 0.0175 0.0157 -.0037 -.0044
	O3 .1155 .4747 .1822 0.0108 0.0112 0.0088 0.0069 -.0002 -.0027
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Leakeite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 77 (1992) 1112-1115
	Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the
	Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
	9.822 17.836 5.286 90 104.37 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .1100 .0905 .2154 0.0013 0.0006 0.0081 -.0001 0.0005 -.0001
	O2 .1184 .1685 .7284 0.0016 0.0006 0.0083 .0001 0.0006 0.0004
	O3 .1110 0 .6985 0.0023 0.0005 0.0111 -.0004 0.0005 -.0001
	O4 .3623 .2504 .8027 0.0033 0.0004 0.0096 -.0003 0.0017 0
	O5 .3486 .1281 .0850 0.0014 0.0008 0.0068 .0001 0.0006 0.0007
	O6 .3436 .1193 .5854 0.0016 0.0008 0.0059 0 0.0005 -.0006
	O7 .3338 0 .2983 0.0021 0.0003 0.0149 0 0.0007 0
	Si1 .2780 .0862 .2944 0.0013 0.0003 0.0048 0 0.0004 -.0001
	Si2 .2883 .1712 .8018 0.0011 0.0003 0.0050 -.0001 0.0005 0
	Mg1 0 .0848 .5 .72 0.0017 0.0007 0.0061 0 0.0012 0
	Fe1 0 .0848 .5 .28 0.0017 0.0007 0.0061 0 0.0012 0
	Mg2 0 .1796 0 .28 0.0013 0.0003 0.0056 0 0.0006 0
	Fe2 0 .1796 0 .72 0.0013 0.0003 0.0056 0 0.0006 0
	Li3 0 0 0 .83 0.0023 0.0003 0.0065 0 -.0002 0
	Mg3 0 0 0 .17 0.0023 0.0003 0.0065 0 -.0002 0
	Na4 0 .2763 .5 .98 0.0037 0.0007 0.0160 0 0.0045 0
	Ca4 0 .2763 .5 .02 0.0037 0.0007 0.0160 0 0.0045 0
	NaA 0 .5 0 .85 0.0201 0.0009 0.0771 0 0.0384 0
	Nam .0399 .5 .0930 .038 0.0108 0.0016 0.0337 0 0.0149 0
	Na2 0 .4766 0 .038 4.14
	H .1845 0 .7705
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Attakolite
	Grice J D, Dunn P J
	American Mineralogist 77 (1992) 1285-1291
	Attakolite: New data and crystal-structure determination
	17.188 11.477 7.322 90 113.83 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .2592 0 .0109 .0146 .0101 0 .0063 0
	Mn .2870 0 .0488 .0054 .0116 .0125 0 .0013 0
	Al1 .1329 .3670 .4964 .0071 .0058 .0071 -.0009 .0027 .0006
	Al2 .1190 .1292 .7685 .0068 .0060 .0064 -.0006 .0024 .0000
	Si .0515 0 .3308 .0062 .0061 .0057 0 .0020 0
	P1 .4664 0 .2349 .0061 .0071 .0070 0 .0030 0
	P2 .2094 .2534 .1948 .0056 .0057 .0060 -.0001 .0025 -.0003
	O1 .4068 0 .3532 .008 .012 .011 0 .0056 0
	O2 .4045 0 .0169 .010 .018 .008 0 .0027 0
	O3 -.0057 -.1135 .2474 .0081 .0082 .0091 -.0002 .0030 -.0003
	O4 .2691 .1472 .2618 .0070 .0072 .0073 .0013 .0020 -.0005
	O5 .2621 .3610 .1893 .0083 .0076 .0112 -.0006 .0041 .0009
	O6 .1629 .2742 .3297 .0118 .0104 .0119 -.0006 .0084 -.0016
	O7 .0948 0 -.4268 .011 .007 .009 0 .004 0
	O8 .5228 -.1091 .2854 .0079 .0076 .0113 .0010 .0034 -.0001
	O9 .1395 .2315 -.0145 .0078 .0096 .0074 .0006 .0018 -.0012
	O11 .1258 0 .2566 .015 .020 .012 0 .009 0
	O12 .1770 .5 .4372 .012 .009 .009 0 .007 0
	O13 .0884 .2440 .5809 .0051 .0109 .0070 -.0019 .0004 .0015
	O14 .1546 0 -.0609 .010 .007 .006 .008 .004 0
	H1 .339 .5 -.321 0.03
	H2 .682 0 .357 0.03
	H3 .555 -.226 .510 0.03
	H4 .152 0 .021 0.03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Povondraite
	Grice J D, Ercit T S, Hawthorne F C
	American Mineralogist 78 (1993) 433-436
	Povondraite, a redefinition of the tourmaline ferridravite
	Note: Atomic parameters updated by Grice on 11/20/2001.
	16.186 16.186 7.444 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)
	NaX 0 0 .2277 .0171 .0171 .0340 .00855 0 0
	FeY .1224 .0612 .6429 .0044 .0036 .0118 .0022 -.0009 -.0005
	FeZ .2987 .2627 .6124 .0041 .0041 .0091 .0021 .0005 .0009
	B .1097 .2194 .4558 .0118 .0046 .0078 .0023 .0003 .0006
	Si .1892 .1876 0 .0056 .0043 .0097 .0028 -.0010 -.0010
	O1 0 0 .7718 .0077 .0077 .0077 .00385 0 0
	O2 .0610 .1220 .4905 .0101 .0041 .0130 .0020 .0009 .0018
	O3 .2578 .1289 .5123 .0122 .0077 .0088 .0061 -.0026 -.0013
	O4 .0924 .1848 .0692 .0082 .0156 .0126 .0078 -.0058 -.0029
	O5 .1826 .0913 .0866 .0102 .0040 .0183 .0051 .0005 .0002
	O6 .1922 .1829 .7838 .0114 .0069 .0083 .0057 -.0004 -.0016
	O7 .2811 .2813 .0754 .0086 .0068 .0119 .0020 -.0002 -.0009
	O8 .2070 .2679 .4420 .0053 .0097 .0175 .0045 .0038 .0055
	H3 .2411 .1205 .4027 .666 0.02
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Foitite
	MacDonald D J, Hawthorne F C, Grice J D
	American Mineralogist 78 (1993) 1299-1303
	Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient
	tourmaline: Description and crystal structure
	15.967 15.967 7.126 90 90 120 R3m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaX 0 0 .84080 .25 .0282 .0282 .0237 .0141 0 0
	AlY .06223 .93777 .4485 .333 .0060 .0060 .0122 .0021 .0005 -.0005
	FeY .06223 .93777 .4485 .497 .0060 .0060 .0122 .0021 .0005 -.0005
	MnY .06223 .93777 .4485 .080 .0060 .0060 .0122 .0021 .0005 -.0005
	MgY .06223 .93777 .4485 .017 .0060 .0060 .0122 .0021 .0005 -.0005
	LiY .06223 .93777 .4485 .073 .0060 .0060 .0122 .0021 .0005 -.0005
	AlZ .26151 .29827 .4623 .982 .0069 .0061 .0056 .0033 -.0005 -.0003
	FeZ .26151 .29827 .4623 .018 .0069 .0061 .0056 .0033 -.0005 -.0003
	Si .18988 .19193 .0730 .0046 .0047 .0056 .0021 .0003 .0002
	B .88981 .11019 .6177 .0088 .0088 .0073 .0038 -.0002 .0002
	O1 0 0 .2931 .0432 .0432 .0075 .0216 0 0
	O2 .93776 .06224 .5853 .0303 .0303 .0121 .0253 .0001 -.0001
	O3 .13427 .86573 .5649 .0104 .0104 .0058 .0002 .0007 -.0007
	O4 .90631 .09369 .0058 .0076 .0076 .0085 .0008 -.0005 .0005
	O5 .09452 .90548 -.0179 .0074 .0074 .0079 -.0002 -.0009 .0009
	O6 .18786 .19831 .2977 .0085 .0076 .0050 .0024 .0006 -.0003
	O7 .28601 .28512 -.0066 .0056 .0064 .0078 .0014 .0017 .0004
	O8 .27138 .21049 .6319 .0117 .0073 .0093 .0058 -.0030 -.0008
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Johninnesite
	Grice J D, Dunn P J
	American Mineralogist 79 (1994) 991-995
	Johninnesite: Crystal-structure determination and its relationship to other
	arsenosilicates
	10.485 11.065 9.654 107.11 81.17 111.86 P-1
	atom x y z Uiso
	Na .5148 .6095 .2781 .0043
	Mn1 .3833 .0444 .4424 .0022
	Mn2 .6091 .9604 .2075 .0023
	Mn3 .3620 .0309 .1115 .0024
	Mn4 .0100 .7729 .4284 .0023
	Mn5 0 0 0 .0028
	Mn6 .9874 .2380 .2521 .0026
	Mg1 .0137 .7609 .0853 .0024
	Mg2 -.0015 .4990 .1684 .0027
	Mg3 0 .5 .5 .0027
	As .8285 .9304 .3328 .0028
	Si1 .2842 .2735 .0550 .0023
	Si2 .2838 .2735 .3620 .0025
	Si3 .7221 .4996 .3740 .0022
	Si4 .7254 .4995 .0528 .0022
	Si5 .7100 .2606 -.2110 .0021
	Si6 .7041 .2587 .4788 .0022
	O1 .8665 .0267 .2097 .0028
	O2 .9073 .8161 .2867 .0034
	O3 .6515 .8454 .3337 .0024
	O4 .1471 -.0270 .4943 .0030
	O5 .3372 .3945 -.0310 .0029
	O6 -.1172 .7903 .9509 .0024
	O7 .3604 .1647 -.0085 .0022
	O8 .3258 .3509 .2279 .0028
	O9 .3609 .1649 .3234 .0025
	O10 .1177 .2121 .3777 .0028
	O11 .3410 .3955 .5112 .0029
	O12 -.3413 -.6453 -.5880 .0031
	O13 .8881 .5522 .3678 .0023
	O14 -.3351 -.5200 -.7847 .0029
	O15 .8924 .5499 .0387 .0024
	O16 .6625 .3556 -.0620 .0030
	O17 .8742 .2937 -.2155 .0022
	O18 .6171 .1037 -.2326 .0019
	O19 -.3274 -.6927 -.3429 .0030
	O20 .6098 .1025 .4265 .0017
	O21 .8684 .2896 .4524 .0025
	OH1 .1354 .9606 .1205 .0029
	OH2 .0973 .4506 .2998 .0024
	OH3 .8845 .2918 .1158 .0025
	OH4 .5998 .0996 .0981 .0027
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ungarettiite
	Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M
	American Mineralogist 80 (1995) 165-172
	A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales,
	Australia: Description and crystal structure of ungarettiite,
	NaNa2(Mn2Mn3)Si8O22O2
	Sample U1
	9.889 18.033 5.296 90 105.08 90 C2/m
	atom x y z occ Biso
	O1 .1201 .0832 .2075 .69
	O2 .1170 .1594 .7087 .64
	O3 .0913 0 .7186 .64
	O4 .3488 .2484 .7904 .96
	O5 .3504 .1263 .0716 .86
	O6 .3486 .1185 .5752 .84
	O7 .3502 0 .2934 .93
	Si1 .2885 .0840 .2863 .51
	Si2 .2870 .1680 .7861 .50
	Mn1 0 .0814 .5 .47
	Mn2 0 .1834 0 .89 .61
	Mg2 0 .1834 0 .11 .61
	Mn3 0 0 0 .94 .42
	Mg3 0 0 0 .06 .42
	Na4 0 .2730 .5 .985 1.58
	Ca4 0 .2730 .5 .015 1.58
	NaAm .0362 .5 .0782 .207 2.77
	KAm .0362 .5 .0782 .038 2.77
	NaA2 0 .4873 0 .207 2.68
	KA2 0 .4873 0 .038 2.68
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ungarettiite
	Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M
	American Mineralogist 80 (1995) 165-172
	A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales,
	Australia: Description and crystal structure of ungarettiite,
	NaNa2(Mn2Mn3)Si8O22O2
	Sample U2
	9.893 18.041 5.295 90 105.10 90 C2/m
	atom x y z occ Biso
	O1 .1200 .0832 .2085 .63
	O2 .1171 .1592 .7079 .63
	O3 .0914 0 .7186 .72
	O4 .3490 .2485 .7906 .94
	O5 .3504 .1262 .0712 .85
	O6 .3488 .1186 .5755 .83
	O7 .3502 0 .2941 .93
	Si1 .2885 .0841 .2862 .47
	Si2 .2870 .1680 .7863 .50
	Mn1 0 .0815 .5 .47
	Mn2 0 .1834 0 .89 .58
	Mg2 0 .1834 0 .11 .58
	Mn3 0 0 0 .93 .40
	Mg3 0 0 0 .07 .40
	Na4 0 .2729 .5 .985 1.47
	Ca4 0 .2729 .5 .015 1.47
	Na2 .0364 .5 .0794 .2 2.98
	KAm .0364 .5 .0794 .038 2.98
	NaA2 0 .4896 0 .2 3.04
	KA2 0 .4896 0 .038 3.04
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Reederite-(Y)
	Grice J D, Gault R A, Chao G Y
	American Mineralogist 80 (1995) 1059-1064
	Reederite -(Y), a new sodium rare-earth mineral with a unique fluorosulfate
	anion
	8.773 8.773 10.746 90 90 120 P-6
	atom x y z occ Uiso
	Y 0 0 .1781 .010
	Na1 1/3 2/3 .1983 .018
	Na2 .3525 .9032 .2615 .022
	Na3 .6137 .9633 0 .046
	Na4 .4434 .1209 .5 .022
	Na5 0 0 .5 .024
	Cl 1/3 2/3 0 .270
	C1 .7140 .6463 0 .013
	C2 .3203 .2521 .6997 .013
	O1 .9089 .3455 .8977 .032
	O2 .8327 .8105 0 .022
	O3 .8885 .5304 .6543 .019
	O4 .8645 .7725 .6596 .016
	O5 .0460 .7481 .7901 .018
	O6 .1934 .4930 .5 .097
	S 1/3 2/3 .5 .018
	F 1/3 2/3 .3533 .5 .015
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C1
	9.816 17.899 5.297 90 105.35 90 C2/m
	atom x y z occ Biso
	O1 .1057 .0875 .2156 .81
	O2 .1197 .1730 .7367 .70
	OH3 .1076 0 .7149 .27 .98
	F3 .1076 0 .7149 .73 .98
	O4 .3674 .2517 .7895 .92
	O5 .3532 .1413 .1149 1.01
	O6 .3457 .1167 .6142 1.08
	O7 .3451 0 .2755 1.21
	Si1 .2819 .0855 .3044 .57 .50
	Al1 .2819 .0855 .3044 .43 .50
	Si2 .2919 .1737 .8156 .50
	Mg1 0 .0894 .5 .94 .58
	Fe1 0 .0894 .5 .06 .58
	Mg2 0 .1753 0 .49 .56
	Al2 0 .1753 0 .39 .56
	Ti2 0 .1753 0 .01 .56
	Fe2 0 .1753 0 .11 .56
	Mg3 0 0 0 .93 .58
	Fe3 0 0 0 .07 .58
	Ca4 0 .2795 .5 .97 .71
	Mn4 0 .2795 .5 .02 .71
	Fe4 0 .2795 .5 .01 .71
	Ca4' 0 .2657 .5 .97 2.66
	Mn4' 0 .2657 .5 .02 2.66
	Fe4' 0 .2657 .5 .01 2.66
	NaA 0 .5 0 .14 4.90
	KA 0 .5 0 .01 4.90
	CaA 0 .5 0 .17 4.90
	NaAm .0515 .5 .1089 .14 3.76
	KAm .0515 .5 .1089 .01 3.76
	CaAm .0515 .5 .1089 .17 3.76
	NaA2 0 .4675 0 .14 1.98
	KA2 0 .4675 0 .01 1.98
	CaAm 0 .4675 0 .17 1.98
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C2
	9.826 17.906 5.301 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0878 .2153 .78
	O2 .1194 .1732 .7371 .67
	OH3 .1072 0 .7149 .23 .95
	F3 .1072 0 .7149 .77 .95
	O4 .3675 .2518 .7899 .89
	O5 .3531 .1415 .1153 .94
	O6 .3457 .1167 .6156 1.04
	O7 .3448 0 .2766 1.23
	Si1 .2815 .0857 .3049 .41 .48
	Al1 .2815 .0857 .3049 .59 .48
	Si2 .2918 .1738 .8163 .46
	Mg1 0 .0895 .5 .93 .56
	Fe1 0 .0895 .5 .07 .56
	Mg2 0 .1753 0 .47 .51
	Al2 0 .1753 0 .41 .51
	Ti2 0 .1753 0 .01 .51
	Fe2 0 .1753 0 .11 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2797 .5 .96 .69
	Mn4 0 .2797 .5 .02 .69
	Fe4 0 .2797 .5 .02 .69
	Ca4' 0 .2655 .5 .93 1.14
	Mn4' 0 .2655 .5 .02 1.14
	Fe4' 0 .2655 .5 .02 1.14
	NaA 0 .5 0 .11 5.39
	KA 0 .5 0 .04 5.39
	CaA 0 .5 0 .16 5.39
	NaAm .0576 .5 .1212 .11 1.40
	KAm .0576 .5 .1212 .04 1.40
	CaAm .0576 .5 .1212 .16 1.40
	NaA2 0 .4680 0 .11 2.72
	KA2 0 .4680 0 .04 2.72
	CaA2 0 .4680 0 .16 2.72
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C3
	9.836 17.921 5.306 90 105.40 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0880 .2154 .81
	O2 .1194 .1733 .7373 .70
	OH3 .1075 0 .7152 .33 .93
	F3 .1075 0 .7152 .67 .93
	O4 .3675 .2519 .7896 .89
	O5 .3531 .1414 .1153 .93
	O6 .3454 .1168 .6156 1.04
	O7 .3444 0 .2773 1.26
	Si1 .2814 .0857 .3050 .42 .48
	Al1 .2814 .0857 .3050 .58 .48
	Si2 .2919 .1738 .8165 .46
	Mg1 0 .0896 .5 .92 .55
	Fe1 0 .0896 .5 .08 .55
	Mg2 0 .1754 0 .45 .51
	Al2 0 .1754 0 .42 .51
	Ti2 0 .1754 0 .01 .51
	Fe2 0 .1754 0 .12 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2800 .5 .97 .61
	Mn4 0 .2800 .5 .03 .61
	Ca4' 0 .2692 .5 .97 1.16
	Mn4' 0 .2692 .5 .03 1.16
	NaA 0 .5 0 .12 6.29
	KA 0 .5 0 .05 6.29
	CaA 0 .5 0 .16 6.29
	NaAm .0521 .5 .1107 .12 2.97
	KAm .0521 .5 .1107 .05 2.97
	CaAm .0521 .5 .1107 .16 2.97
	NaA2 0 .4675 0 .12 1.71
	KA2 0 .4675 0 .05 1.71
	CaA2 0 .4675 0 .16 1.71
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pargasite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: BMS
	9.889 17.978 5.298 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1064 .0872 .2179 .74
	O2 .1193 .1726 .7323 .70
	Oh3 .1056 0 .7143 .23 .79
	F3 .1056 0 .7143 .77 .79
	O4 .3660 .2508 .7916 .90
	O5 .3503 .1394 .1121 1.0
	O6 .3453 .1175 .6110 1.0
	O7 .3411 0 .2871 1.24
	Si1 .2798 .0855 .3051 .53 .49
	Al1 .2798 .0855 .3051 .47 .49
	Si2 .2903 .1733 .8141 .52
	Mg1 0 .0892 .5 .53
	Mg2 0 .1756 0 .71 .52
	Al2 0 .1756 0 .18 .52
	Ti2 0 .1756 0 .02 .52
	Fe2 0 .1756 0 .09 .52
	Mg3 0 0 0 .90 .56
	Fe3 0 0 0 .02 .56
	Al3 0 0 0 .08 .56
	Ca4 0 .2796 .5 .74
	NaA 0 .5 0 .15 .91
	KA 0 .5 0 .13 .91
	CaA 0 .5 0 .05 .91
	NaAm .0321 .5 .0681 .15 2.99
	KAm .0321 .5 .0681 .13 2.99
	CaAm .0321 .5 .0681 .05 2.99
	NaA2 0 .4729 0 .15 2.77
	KAm 0 .4729 0 .13 2.77
	CaA2 0 .4729 0 .05 2.77
	H .1688 0 .6402 7.9
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Lukechangite-(Ce)
	Grice J D, Chao G Y
	American Mineralogist 82 (1997) 1255-1260
	Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from
	Mont Saint-Hilaire, Quebec
	Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints.
	Note: U(2,3) for O2 changed to match symmetry constraints.
	5.0612 5.0612 22.820 90 90 120 P6_3/mmc
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Nal 1/3 2/3 .4777 .0265 .0265 .0239 .01325 0 0
	Na2 0 0 .25 .0276 .0276 .0083 .0138 0 0 0
	Ce 2/3 1/3 .35447 .0092 .0092 .0047 .0046 0 0
	C1 0 0 .4358 .0123 .0123 .0121 .0061 0 0
	C2 1/3 2/3 .3239 .0098 .0098 .0074 .0049 0 0
	O1 .2896 .1448 .4375 .0127 .0783 .0116 .00635 .0002 .0001
	O2 .18705 .3741 .3241 .0159 .0105 .0198 .00525 -.0005 -.0010
	F 2/3 1/3 .25 .0277 .0277 .0117 .01385 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pinalite
	Grice J D, Dunn P J
	American Mineralogist 85 (2000) 806-809
	Crystal-structure determination of pinalite
	11.073 13.067 5.617 90 90 90 Amam
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Pb1 .4678 .3489 0 .0187 .0202 .0131 .0016 0 0
	Pb2 .75 .4002 -.5 .0214 .0216 .0071 0 0 0
	W .75 .2350 0 .0164 .0190 .0068 0 0 0
	O1 .632 .270 .232 .0185 .0235 .0100 -.0044 -.0015 .0022
	O2 .75 .105 0 .0324 .0397 .0370 0 0 0
	Cl1 .5 .5 -.5 .0141 .0474 .0428 .0061 0 0
	Cl2 .75 .475 0 .0251 .0379 .0155 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Dellaventuraite
	Tait K T, Hawthorne F C, Grice J D, Ottolini L, Nayak V K
	American Mineralogist 90 (2005) 304-309
	Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from
	the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India
	9.808 17.840 5.2848 90 104.653 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)
	Mg1 0 .08163 .5 .39 .0100 .0087 .0167 .0057 0 .0041 0
	Mn3+1 0 .08163 .5 .31 .0100 .0087 .0167 .0057 0 .0041 0
	Ti4+1 0 .08163 .5 .30 .0100 .0087 .0167 .0057 0 .0041 0
	Mg2 0 .17930 0 .50 .0070 .0084 .0073 .0062 0 .0032 0
	Fe3+2 0 .17930 0 .36 .0070 .0084 .0073 .0062 0 .0032 0
	Mn2+2 0 .17930 0 .09 .0070 .0084 .0073 .0062 0 .0032 0
	Al2 0 .17930 0 .05 .0070 .0084 .0073 .0062 0 .0032 0
	Li3 0 .17930 0 .90 .0070 .0084 .0073 .0062 0 .0032 0
	Mg3 0 0 0 .07 .023 .027 .014 .024 0 -.003 0
	Mn3+3 0 0 0 .03 .023 .027 .014 .024 0 -.003 0
	Na4 0 .27565 .5 .86 .0160 .0202 .0137 .0197 0 .0154 0
	Ca4 0 .27565 .5 .14 .0160 .0202 .0137 .0197 0 .0154 0
	Si1 .27918 .08596 .2951 .0080 .0092 .0092 .0060 .0006 .0027 -.0001
	Si2 .28818 .17064 .8011 .0071 .0086 .0067 .0064 -.0005 .0025 -.0001
	O1 .1108 .0890 .2176 .0107 .010 .013 .009 -.0025 .0027 -.0006
	O2 .1172 .1662 .7229 .0115 .0084 .016 .0109 .0005 .0045 .0001
	O3 .1087 0 .6925 .0127 .011 .013 .014 0 .002 0
	O4 .3596 .2500 .8029 .0125 .016 .0105 .014 -.0029 .0080 -.0022
	O5 .3476 .1279 .0849 .0115 .0093 .0155 .0104 .0012 .0042 .0024
	O6 .3461 .1190 .5862 .0115 .0126 .0144 .0079 .0027 .0032 -.0009
	O7 .3364 0 .3005 .0124 .010 .009 .017 0 .002 0
	NaAm .017 .5 .039 .60 .018
	KAm' .051 .5 .104 .40 .018
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Millerite
	Grice J D, Ferguson R B
	The Canadian Mineralogist 12 (1974) 248-252
	Crystal structure refinement of millerite (B-NiS)
	9.6071 9.6071 3.1434 90 90 120 R3m
	atom x y z Uiso
	Ni .91225 -.91225 .47546 .056
	S .11224 -.11224 0 .066
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Weloganite
	Grice J D, Perrault G
	The Canadian Mineralogist 13 (1975) 209-216
	The crystal structure of triclinic weloganite
	Note: y-coordinate of Sr2 changed.
	Locality: St. Michel, Montreal Island, Quebec, Canada
	8.966 8.980 6.730 102.72 116.65 60.66 P1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sr1 .4679 .6565 .3769 .93 .0100 .0084 .0086 -.0038 .0024 .0009
	Ca1 .4679 .6565 .3769 .07 .0100 .0084 .0086 -.0038 .0024 .0009
	Sr2 .7769 .0025 .3661 .93 .0102 .0096 .0093 -.0049 .0042 -.0010
	Ca2 .7769 .0025 .3661 .07 .0102 .0096 .0093 -.0049 .0042 -.0010
	Sr3 .1224 .3442 .3763 .93 .0115 .0103 .0108 -.0052 .0041 -.0008
	Ca3 .1224 .3442 .3763 .07 .0115 .0103 .0108 -.0052 .0041 -.0008
	Zr 0 0 0 .0064 .0052 .0058 -.0028 .0022 -.0002
	Na1 .321 .336 -.014 .016 .022 .013 -.009 .001 .000
	Na2 .661 .670 -.013 .015 .015 .010 -.009 .006 -.004
	C1 .409 .000 .252 .009
	C2 .081 .675 .245 .011
	C3 .749 .325 .236 .006
	C4 .833 .308 .801 .013
	C5 .236 .799 .795 .007
	C6 .722 .900 .790 .012
	O1 .260 -.003 .248 .008 .019 .011 -.007 .003 -.004
	O2 .415 .140 .285 .013 .010 .021 -.010 .007 -.003
	O3 .538 -.140 .219 .009 .024 .016 -.007 .010 -.002
	O4 -.060 .680 .253 .013 .017 .023 -.009 .004 .002
	O5 .079 .824 .244 .008 .007 .008 -.004 .002 -.003
	O6 .226 .535 .250 .014 .008 .018 -.005 .007 -.003
	O7 .616 .320 .247 .014 .011 .018 -.008 .015 -.011
	O8 .749 .464 .224 .018 .012 .016 -.007 .009 -.005
	O9 .905 .179 .251 .016 .006 .009 -.002 .010 .000
	O10 .763 .199 .735 .015 .008 .008 -.002 -.001 -.002
	O11 .745 .456 .714 .018 .005 .017 -.002 .008 .004
	O12 .999 .252 .960 .014 .016 .009 -.005 .000 .005
	O13 .102 .952 .731 .011 .013 .012 -.006 .003 .001
	O14 .358 .711 .713 .016 .015 .015 -.008 .005 .003
	O15 .235 .741 .957 .011 .010 .004 -.004 .005 .000
	O16 .608 .839 .703 .019 .023 .015 -.017 .006 -.005
	O17 .857 .859 .727 .011 .012 .014 -.008 .004 .001
	O18 .721 .008 .951 .018 .020 .004 -.015 .006 -.006
	Wat1 .272 .132 .711 .018 .016 .020 -.010 .009 .000
	Wat2 .022 .507 .700 .010 .013 .016 -.003 .006 -.001
	Wat3 .400 .381 .712 .013 .012 .022 -.006 .008 -.005
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Manganotantalite
	Grice J D, Ferguson R B, Hawthorne F C
	The Canadian Mineralogist 14 (1976) 540-549
	The crystal structures of tantalite, ixiolite and wodginite
	from Bernic lake, Manitoba I. Tantalite and ixiolite
	Locality: Bernic lake, Manitoba, Canada
	14.413 5.760 5.084 90 90 90 Pbcn
	atom x y z occ Biso
	Mn 0 .322 .25 .97 .63
	Ti 0 .322 .25 .02 .63
	Fe 0 .322 .25 .01 .63
	Ta .1628 .1770 .7367 .64 .64
	Nb .1628 .1770 .7367 .36 .64
	O1 .099 .094 .055 .4
	O2 .419 .112 .108 1.3
	O3 .758 .121 .099 .9
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tantalite-(Mn)
	Grice J D, Ferguson R B, Hawthorne F C
	The Canadian Mineralogist 14 (1976) 540-549
	The crystal structures of tantalite, ixiolite and wodginite
	from Bernic lake, Manitoba I. Tantalite and ixiolite
	Locality: Bernic lake, Manitoba, Canada
	14.413 5.760 5.084 90 90 90 Pbcn
	atom x y z occ Biso
	Mn 0 .322 .25 .97 .63
	Ti 0 .322 .25 .02 .63
	Fe 0 .322 .25 .01 .63
	Ta .1628 .1770 .7367 .64 .64
	Nb .1628 .1770 .7367 .36 .64
	O1 .099 .094 .055 .4
	O2 .419 .112 .108 1.3
	O3 .758 .121 .099 .9
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ixiolite
	Grice J D, Ferguson R B, Hawthorne F C
	The Canadian Mineralogist 14 (1976) 540-549
	The crystal structures of tantalite, ixiolite and wodginite
	from Bernic lake, Manitoba I. Tantalite and ixiolite
	Locality: Bernic lake, Manitoba, Canada
	4.785 5.758 5.160 90 90 90 Pbcn
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ta 0 .3317 .25 .42 .053 .006 .0013 0 -.003 0
	Mn 0 .3317 .25 .30 .053 .006 .0013 0 -.003 0
	Nb 0 .3317 .25 .24 .053 .006 .0013 0 -.003 0
	Ti 0 .3317 .25 .02 .053 .006 .0013 0 -.003 0
	Sn 0 .3317 .25 .005 .053 .006 .0013 0 -.003 0
	Fe 0 .3317 .25 .002 .053 .006 .0013 0 -.003 0
	O .7224 .1217 .4158 2.8
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Wodginite
	Ferguson R B, Hawthorne F C, Grice J D
	The Canadian Mineralogist 14 (1976) 550-560
	The crystal structures of tantalite, ixiolite and wodginite
	from Bernic lake, Manitoba II. Wodginite
	Locality: Bernic lake, Manitoba, Canada
	9.489 11.429 5.105 90 91.10 90 C2/c
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	SnC 0 .1689 .25 .567 .0013 .0010 .0053 0 .0016 0
	TaC 0 .1689 .25 .250 .0013 .0010 .0053 0 .0016 0
	TiC 0 .1689 .25 .113 .0013 .0010 .0053 0 .0016 0
	FeC 0 .1689 .25 .070 .0013 .0010 .0053 0 .0016 0
	MnA 0 .6575 .25 .0012 .0013 .0073 0 .0021 0
	TaB .2498 .4131 .2472 .891 .0015 .0012 .0064 -.0001 .0013 .0001
	TaB .2498 .4131 .2472 .109 .0015 .0012 .0064 -.0001 .0013 .0001
	O1 .1334 .0577 .0833 .0031 .0013 .0085 .0000 .0019 .0001
	O2 .1453 .4505 .5597 .0021 .0022 .0139 .0004 .0021 -.0005
	O3 .1215 .3060 .0984 .0020 .0016 .0141 -.0015 .0023 -.0002
	O4 .1161 .1834 .5758 .0023 .0019 .0142 .0003 .0033 .0005
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Moydite-(Y)
	Grice J D, Ercit T S
	The Canadian Mineralogist 24 (1986) 675-678
	The crystal structure of moydite
	9.089 12.244 8.926 90 90 90 Pbca
	atom x y z occ Uiso
	Y .0146 .4991 .2272 .9 .0083
	Sm .0146 .4991 .2272 .1 .0083
	B .0032 .2490 .2415 .0149
	C .2622 .5454 .0268 .0113
	O1 -.2792 .4688 -.1692 .0132
	O2 -.1267 .4550 .0164 .0166
	O3 .3680 .5565 -.0617 .0202
	OH4 .1019 .3172 .1534 .0155
	OH5 -.0944 .3256 .3258 .0159
	OH6 .0879 .1796 .3505 .0176
	OH7 -.0844 .1700 .1538 .0165
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Poudretteite
	Grice J D, Ercit T S, Van Velthuizen J, Dunn P J
	The Canadian Mineralogist 25 (1987) 763-766
	Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from
	Mont Saint-Hilaire, Quebec, and its crystal structure
	Locality: Mont Saint-Hilaire, Quebec, Canada
	10.253 10.253 13.503 90 90 120 P6/mcc
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .25 .0164 .0164 .0205 .0082 0 0
	Na 1/3 2/3 .25 .0105 .0105 .0235 .0052 0 0
	B 0 .5 .25 .0093 .0081 .0070 .0047 0 0
	Si .06952 .33761 .11333 .0062 .0074 .0060 .0036 .0002 -.0006
	O1 .0821 .3921 0 .0225 .0156 .0054 .0103 0 0
	O2 .1892 .2820 .1333 .0110 .0156 .0165 .0091 -.0017 -.0033
	O3 .1004 .4710 .1873 .0097 .0104 .0077 .0051 .0012 -.0029
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ehrleite
	Hawthorne F C, Grice J D
	The Canadian Mineralogist 25 (1987) 767-774
	The crystal structure of ehrleite, a tetrahedral sheet structure
	7.130 7.430 12.479 94.3 102.1 82.7 P-1
	atom x y z occ Uiso
	Ca1 .2746 .0009 .5520 .0100
	Ca2 .0190 .9548 .2076 .0147
	Zn .1424 .4630 .1820 .0129
	P1 .0542 .2810 .3790 .0079
	P2 .3587 .6943 .3773 .0083
	P3 .2454 .3698 -.0403 .89 .0081
	P4 .1420 .3660 .8150 .11 .0081
	Be .2675 .4992 .5492 .0080
	O1 -.0047 .0951 .3918 .0112
	O2 .1367 .2617 .2713 .0124
	O3 .2187 .3139 .4800 .0145
	O4 -.1094 .4355 .3723 .0120
	O5 .4184 .8860 .3927 .0133
	O6 .2643 .6708 .4751 .0134
	O7 .2098 .6833 .2705 .0144
	O8 .5264 .5440 .3687 .0125
	O9 .3212 .4261 .0807 .0171
	O10 .4326 .3277 -.0941 .0155
	O11 .1467 .2013 -.0552 .0200
	O12 .1224 .5277 -.0993 .0146
	OH13 .4563 -.1817 .6981 .0164
	OH14 .1986 .2079 .7054 .0141
	OH15 -.2512 .1624 .1374 .0232
	OH16 .2661 .9749 .1104 .0293
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Magnolite
	Grice J D
	The Canadian Mineralogist 27 (1989) 133-136
	The crystal structure of magnolite, Hg2TeO3
	Locality: Mount Lion Mine, Colorado, USA
	5.958 10.576 3.749 90 90 90 Pbm2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg .1907 .5528 0 .0149 .0210 .0351 .0059 .0078 -.0044
	Te .4452 .25 .4991 .0096 .0159 .0182 0 .0030 0
	O1 .501 .130 -.122 .029
	O2 .734 .25 .438 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Arsenohauchecornite
	Grice J D, Ferguson R B
	The Canadian Mineralogist 27 (1989) 137-142
	The crystal structure of arsenohauchecornite
	Locality: Vermilion mine, Sudbury District, Ontario, Canada
	10.2711 10.2711 10.8070 90 90 90 I4/mmm
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ni1 .5 0 0 .0078 .0078 .0094 0 0 0
	Ni2 .14501 .14501 .37922 .0101 .0101 .0081 .0007 -.0004 -.0004
	Ni3 .17109 .17109 .12524 .0088 .0088 .0087 .0014 .0014 .0014
	Bi1 .5 0 .25 .0089 .0089 .0079 0 0 0
	Bi2 0 0 0 .0098 .0098 .0102 0 0 0
	As 0 0 .5 .0063 .0063 .0099 0 0 0
	S1 .3493 .1613 0 .0052 .0057 .0076 .0009 0 0
	S2 .2287 0 .2415 .0084 .0069 .0085 0 .0008 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Leucophanite
	Grice J D, Hawthorne F C
	The Canadian Mineralogist 27 (1989) 193-197
	Refinement of the crystal structure of leucophanite
	7.401 7.412 9.990 90 90 90 P2_12_12_1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .0788 .6462 .7599 .0116 .0089 .0091 .0021 .0006 .0025
	Na .1021 .6782 .2465 .0180 .0250 .0171 .0052 .0045 -.0064
	Be .1200 .3592 .5307 .0030 .0004 .0049 .0000 .0000 .0000
	Si1 .1000 .3580 .0241 .0066 .0073 .0091 .0000 .0000 -.0002
	Si2 .2371 .9917 .9994 .0068 .0069 .0098 .0003 -.0011 -.0005
	O1 .0912 .3548 .8645 .0129 .0096 .0090 .0011 .0017 .0003
	O2 .1483 .1580 .0895 .0124 .0067 .0110 .0009 .0013 .0001
	O3 .0986 .9136 .4111 .0077 .0116 .0109 -.0009 .0008 .0000
	O4 .0800 .9129 .9030 .0065 .0114 .0116 -.0008 -.0015 -.0029
	O5 .1769 .1626 .5935 .0115 .0066 .0110 .0010 .0031 -.0014
	O6 .2553 .5076 .5892 .0099 .0104 .0101 -.0006 .0028 .0020
	F .1216 .3526 .3729 .0162 .0191 .0123 -.0003 .0001 -.0018
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Feruvite
	Grice J D, Robinson G W
	The Canadian Mineralogist 27 (1989) 199-203
	Feruvite, a new member of the tourmaline group, and its crystal structure
	Locality: Cuvier Island, New Zealand
	16.012 16.012 7.245 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)
	Ca 0 0 .2222 .62 .0167 .0167 .0197 .00835 0 0
	Na 0 0 .2222 .38 .0167 .0167 .0197 .00835 0 0
	Fe1 .12299 .06149 .63661 .51 .0102 .0073 .0119 .0051 -.0044 -.0022
	Mg1 .12299 .06149 .63661 .403 .0102 .0073 .0119 .0051 -.0044 -.0022
	Ti .12299 .06149 .63661 .097 .0102 .0073 .0119 .0051 -.0044 -.0022
	Al .29832 .26167 .61132 .787 .0063 .0066 .0065 .0031 .0001 .0008
	Mg2 .29832 .26167 .61132 .136 .0063 .0066 .0065 .0031 .0001 .0008
	Fe2 .29832 .26167 .61132 .077 .0063 .0066 .0065 .0031 .0001 .0008
	B .11001 .22003 .45175 .0083 .0095 .0079 .0047 -.0003 -.0006
	Si .19151 .18985 0 .0057 .0055 .0067 .0026 -.0003 -.0005
	O1 0 0 .7812 .0201 .0201 .0169 .01005 0 0
	O2 .0607 .1214 .4764 .0119 .0065 .0147 .0032 .0010 .0020
	O3 .2660 .1330 .5125 .0215 .0166 .0058 .0108 .0019 .0009
	O4 .0919 .1838 .0710 .0088 .0168 .0114 .0084 -.0006 -.0012
	O5 .1814 .0907 .0902 .0158 .0083 .0118 .0079 .0015 .0008
	O6 .1953 .1862 .7789 .0114 .0107 .0080 .0061 -.0007 -.0016
	O7 .2842 .2835 .0789 .0091 .0076 .0117 .0018 -.0029 -.0007
	O8 .2088 .2695 .4411 .0069 .0110 .0184 .0041 .0006 .0020
	H1 0 0 .725 .01
	H2 .258 .129 .412 .01
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Silinaite
	Grice J D
	The Canadian Mineralogist 29 (1991) 363-367
	The crystal structure of silinaite, NaLiSi2O6.2H20: a monophyllosilicate
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	5.061 8.334 14.383 90 96.6 90 A2/n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 1/4 .6035 1/4 .0201 .02 .0247 0 .073 0
	Li 1/4 .2395 1/4 .1191 .0168 .0168 0 -.004 0
	Si .0525 .1526 .4366 .071 .074 .078 .008 .005 -.005
	O1 .0096 .1211 .3269 .0119 .0135 .088 -.011 .008 -.005
	O2 .3610 .2053 .4703 .073 .0122 .0115 .020 .000 -.020
	O3 0 0 1/2 .0188 .0131 .0165 .076 .025 -.030
	O4 .0933 .8583 .1594 .0221 .0270 .0147 -.020 .024 -.036
	H1 .041 .855 .109 .052
	H2 .219 .941 .164 .036
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Harrisonite
	Grice J D, Roberts A C
	The Canadian Mineralogist 31 (1993) 781-785
	Harrisonite, a well-ordered silico-phosphate with a layered crystal structure.
	Ca(Fe,Mg)6(SiO4)2(PO4)2
	Locality: Arcedeckne Island, Artic Canada
	6.248 6.248 26.802 90 90 120 R-3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 0 0 .0113 .0066 .0066 .0206 .0033 0 0
	Fe .4969 .9938 .0950 .88 .0078 .0065 .0070 .0101 .0035 .0001 -.0002
	Mg .4969 .9938 .0950 .12 .0078 .0065 .0070 .0101 .0035 .0001 -.0002
	Si 0 0 .8623 .0058 .0056 .0056 .0062 .0028 0 0
	P 0 0 .6802 .0062 .0066 .0066 .0054 .0033 0 0
	O1 0 0 .1988 .009 .009 .009 .007 .0048 0 0
	O2 0 0 .6224 .008 .009 .009 .008 .0043 0 0
	O3 .1429 .2858 .1183 .0092 .008 .012 .012 .0038 .0011 .002
	O4 .7979 .5958 .0362 .0104 .013 .008 .008 .0043 .0002 -.0000
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pringleite
	Grice J D, Burns P C, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 1-14
	Determination of the megastructures of the borate polymorphs pringleite and
	ruitenbergite
	Note: Cell angles modified by Grice, June 2002
	12.746 13.019 9.693 102.24 102.10 85.61 P1
	atom x y z Uiso
	Ca1 0 0 0 .10
	Ca2 .6993 .3050 .8019 .11
	Ca3 .7648 .8770 .3976 .11
	Ca4 .1967 .8075 .7980 .10
	Ca5 .5658 .0705 .1942 .09
	Ca6 .0641 .5644 .1807 .11
	Ca7 .2679 .3822 .3988 .12
	Ca8 .5001 .4987 .9941 .11
	Ca9 .5350 .8586 .7293 .18
	B1 .0048 .7343 .4952 .10
	B2 .9152 .8006 .1347 .09
	B3 .2860 .0339 .0667 .09
	B4 .5141 .7989 .1497 .07
	B5 .7864 .5297 .0606 .08
	B6 .3571 .5832 .6933 .10
	B7 .2613 .6437 .0342 .08
	B8 .8506 .0764 .6984 .11
	B9 .5026 .2331 .4974 .14
	B10 .7683 .1483 .0546 .09
	B11 .0154 .2947 .1535 .15
	B12 .4141 .2996 .1322 .11
	B13 .4174 .9043 .9719 .11
	B14 .9042 .2068 .9322 .11
	B15 .0802 .7379 .0132 .06
	B16 .3634 .1774 .2743 .11
	B17 .8665 .6733 .2718 .12
	B18 .6805 .1324 .5243 .14
	B19 .8234 .9799 .1643 .11
	B20 .3177 .4768 .1459 .11
	B21 .9207 .3997 .9744 .09
	B22 .4043 .7087 .9286 .09
	B23 .5859 .2403 .0278 .17
	B24 .4526 .4052 .6680 .14
	B25 .1905 .6433 .5156 .10
	B26 .9403 .8947 .6733 .07
	O1 .9724 .6688 .3661 .11
	O2 .9372 .8130 .5430 .11
	O3 .1082 .7206 .5661 .14
	O4 .9923 .7301 .0886 .13
	O5 .8964 .8968 .0993 .12
	O6 .8519 .7717 .2174 .13
	O7 .3668 .0842 .1601 .14
	O8 .4959 .2323 .0971 .13
	O9 .3066 .9416 .9764 .14
	O10 .4887 .7066 .0574 .13
	O11 .3512 .2744 .2190 .11
	O12 .4809 .8948 .1174 .10
	O13 .8061 .4405 .9710 .11
	O14 .8683 .5824 .1562 .11
	O15 .4121 .8049 .8712 .08
	O16 .2749 .6496 .6442 .13
	O17 .3803 .4882 .6107 .10
	O18 .4229 .6133 .8244 .09
	O19 .2984 .7109 .9629 .10
	O20 .3262 .5593 .0662 .13
	O21 .1623 .6618 .0656 .10
	O22 .9179 .1077 .8315 .11
	O23 .8677 .9791 .6182 .11
	O24 .7666 .1402 .6551 .13
	O25 .5994 .2087 .5797 .10
	O26 .4685 .1679 .3691 .11
	O27 .4411 .3190 .5408 .14
	O28 .8322 .0659 .0893 .11
	O29 .7986 .2107 .9744 .12
	O30 .6679 .1683 .0902 .13
	O31 .9918 .2011 .0608 .10
	O32 .9130 .2966 .8741 .09
	O33 .9728 .3884 .1240 .14
	O34 .3931 .3931 .0909 .10
	Oh1 .1789 .0684 .0502 .23
	Oh2 .5811 .7988 .2826 .18
	OH3 .4738 .9804 .9255 .15
	OH4 .6818 .5692 .0550 .19
	OH5 .0884 .2956 .2800 .19
	OH6 .0487 .7129 .8545 .15
	Oh7 .1175 .8455 .0338 .12
	OH8 .2751 .1812 .3496 .13
	Oh9 .7747 .6794 .3414 .16
	Oh10 .7143 .1635 .4023 .16
	Oh11 .6439 .0258 .4606 .15
	Oh12 .7128 .9458 .1463 .12
	Oh13 .8641 .0082 .3189 .16
	Oh14 .3584 .5126 .3018 .19
	Oh15 .2079 .4428 .1318 .18
	Oh16 .9837 .4758 .9405 .14
	Oh17 .5631 .2010 .8721 .16
	OH18 .6200 .3492 .0507 .16
	Oh19 .4171 .3774 .7902 .15
	Oh20 .5613 .4350 .7344 .13
	Oh21 .1492 .5356 .4515 .14
	Oh22 .2247 .6680 .3911 .30
	OH23 .8919 .8640 .7823 .15
	Oh24 .0481 .9317 .7473 .16
	Cl1 .2625 .8958 .3347 .36
	Cl2 .6698 .5720 .5622 .33
	Cl3 .9830 .4870 .6205 .38
	Cl4 .3180 .1373 .7214 .45
	OW1 .6974 .8161 .6108 .20
	OW2 .1951 .3378 .5948 .34
	OW3 .0640 .0569 .2731 .30
	OW4 .2580 .9088 .6525 .47
	OW5 .7743 .3614 .6187 .27
	OW6 .6508 .7708 .9021 .26
	OW7 .4626 .7240 .5410 .34
	OW8 .6507 .0049 .7977 .31
	OW9 .4667 .9714 .5591 .30
	OW10 .5476 .5654 .2570 .24
	OW11 .8207 .6516 .8498 .32
	OW12 .7978 .4026 .2941 .54
	OW13 .1485 .2867 .8894 .63
	H1 .1756 .0984 .9947 .30
	H2 -.4104 .7422 .3025 .30
	H7 .1238 .8616 .1142 .30
	H9 -.2226 .6534 .4010 .30
	H10 -.2526 .2086 .4257 .30
	H11 -.3991 .9996 .5130 .30
	H12 .6946 .9133 .0691 .30
	H13 -.1561 .0720 .3616 .30
	H14 .3413 .5801 .3502 .30
	H15 .1852 .3944 .0531 .30
	H16 -.0159 .4716 .8509 .30
	H17 -.4986 .2285 .8229 .30
	H19 .3608 .3638 .7703 .30
	H20 -.4198 .4831 .6951 .30
	H21 .1261 .5147 .5121 .30
	H22 .2721 .6970 .4234 .30
	H24 .0740 .9660 .7111 .30
	HW1 .6928 .7351 .5906 .30
	HW1* -.2591 .8167 .6590 .30
	HW2 .1576 .3375 .6514 .30
	HW3 .0255 .0590 .2779 .30
	HW5 -.1699 .3874 .6123 .30
	HW5* -.2461 .4080 .5482 .30
	HW7 .4957 .6571 .5355 .30
	HW9 .4330 .9688 .5004 .30
	HW10 .5923 .5645 .3039 .30
	HW13 -.0277 .0459 .3289 .30
	HW13* .0938 .2854 .8609 .30
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Ruitenbergite
	Grice J D, Burns P C, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 1-14
	Determination of the megastructures of the borate polymorphs pringleite and
	ruitenbergite
	19.857 9.708 17.522 90 114.68 90 P2_1
	atom x y z Uiso
	Ca1 .0907 .3479 .0173 .12
	Ca2 .0918 .5478 .3208 .15
	Ca3 .4139 .5599 .2336 .18
	Ca4 .4083 .7729 .4281 .11
	Ca1s .0891 .3394 .5129 .14
	Ca2s .0962 .5451 .8271 .13
	Ca3s .4125 .5695 .7345 .14
	Ca4s .4064 .7617 .9296 .16
	Ca5s .2142 .9425 .9715 .19
	B1 .5425 .0055 .4378 .12
	B2 .0567 .6242 .1122 .10
	B3 .2518 .5985 .2760 .15
	B4 .5499 .3440 .3603 .10
	B5 .0397 .2741 .1856 .10
	B6 .2598 .4968 .0234 .10
	B7 -.0087 .7641 .1877 .10
	B8 .1406 .4438 .1987 .10
	B9 .3518 .6794 .0508 .10
	B10 .5035 .5020 .4588 .11
	B11 .5209 .3652 .2143 .15
	B12 .2515 .6832 .4101 0
	B13 -.0115 .1358 .0389 .24
	B1s .5360 .9902 .9248 .10
	B2s .0519 .6352 .6135 .11
	B3s .2499 .5817 .7801 .10
	B4s .5629 .3627 .8624 .10
	B5s .0465 .2526 .6812 .09
	B6s .2538 .4902 .5072 .17
	B7s .0020 .7672 .7050 .10
	B8s .1398 .4431 .6858 .11
	B9s .3561 .6523 .5579 .05
	B10s .5029 .5047 .9464 .10
	B11s .5010 .3459 .6986 .10
	B12s .2506 .6678 .9136 .12
	B13s -.0098 .1156 .5502 .10
	O1 .3198 .5673 .0787 .29
	O2 .5053 .9375 .4751 .00
	O3 .1061 .5200 .1185 .00
	O4 .0064 .7282 .2731 .07
	O5 .5225 .4252 .2928 .41
	O6 .3096 .7394 .4868 .26
	O7 .1869 .5368 .2677 .27
	O8 .4057 .6058 .0304 .00
	O9 .0897 .3699 .2270 .00
	O10 .3979 .7344 .1335 .00
	O11 .4528 .8910 .0664 .00
	O12 .2226 .5559 .4296 .80
	O13 .0473 .2337 .1149 .03
	O14 .0396 .6599 .1775 .30
	O15 .0143 .6842 .0361 .00
	O16 .4723 .4408 .1373 .15
	O17 .2883 .6625 .3532 .00
	OH1 .1837 .3587 .1666 .96
	OH2 .0689 .2797 .3751 .07
	OH3 -.0409 .4945 .4248 .64
	OH4 .4391 .5269 .3804 .16
	OH5 .0808 .5795 .4518 .00
	OH6 .4128 .8277 .2984 .00
	OH7 .1831 .7627 .3754 .71
	OH8 .5353 .6380 .4587 .00
	OH9 .2835 .5674 .2197 .00
	OH10 .5316 .7078 .3071 .06
	OH11 .2270 .3774 .0344 .80
	OH12 -.0231 .4065 .2975 .73
	O1s .3117 .5435 .5748 .00
	O2s .4931 .9518 .9644 .22
	O3s .0865 .5191 .6117 .13
	O4s -.0155 .6988 .7704 .00
	O5s .5214 .4070 .7818 .00
	O6s .2981 .7519 .9857 .00
	O7s .1828 .5251 .7582 .00
	O8s .5859 .1058 .4820 .35
	O9s .1001 .3506 .7179 .47
	O10s .3898 .7569 .6245 .24
	O11s .4354 .9077 .5620 .67
	O12s .2337 .5351 .9393 .00
	O13s .0290 .2198 .5993 .00
	O14s .0495 .6743 .6845 .00
	O15s .0069 .6754 .5362 .51
	O16s .4687 .4717 .6515 .00
	O17s .2862 .6267 .8586 .85
	OH1s .1860 .3446 .6658 .00
	OH2s .0831 .3026 .8701 .04
	OH3s -.0206 .4827 .9504 .00
	OH4s .4260 .5137 .8787 .00
	OH5s .0823 .6231 .9520 .10
	OH6s .4009 .8383 .7884 .57
	OH7s .1815 .7462 .8707 .00
	OH8s .5446 .6331 .9715 1.00
	OH9s .2928 .5955 .7370 .03
	OH10s .5170 .7317 .8073 .00
	OH11s .2213 .3867 .5313 .00
	OH12s -.0292 .4168 .7818 .00
	Cl1 .1740 .0636 .3573 .50
	Cl2 .1898 .9585 .2107 .42
	Cl3s .3327 .2716 .8780 .32
	Cl4s .2893 .0715 .7218 .34
	Wat2 .3496 .3358 .1929 .21
	Wat3 .1432 .1029 .0326 .02
	Wat5 .3341 .9819 .4044 .45
	Wat7 .2038 .7854 .0724 .09
	Wat10 .3032 .3108 .3685 .53
	Wat1s .1855 .1212 .8709 .33
	Wat2s .3651 .3105 .7235 .51
	Wat3s .1670 .1211 .5487 .22
	Wat5s .3329 .9692 -.1264 .38
	Wat6s .3144 .0706 .5607 .12
	Wat7s .1853 .7788 .5462 .41
	Wat8s .0809 .9397 .9001 .25
	Wat9s .1684 .8515 .7069 .30
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Petersenite-(Ce)
	Grice J D, Velthuizen J V, Gault R A
	The Canadian Mineralogist 32 (1994) 405-414
	Petersenite-(Ce), a new mineral from Mont Saint-Hilaire, and its structural
	relationship to other REE carbonates
	Locality: Mont Saint-Hilaire, Quebec, Canada
	20.872 6.367 10.601 90 120.50 90 P2_1
	atom x y z Uiso
	Na1 .5812 .4996 .3247 .015
	Na2 .9187 .9940 .1620 .015
	Na3 .2332 .8037 .0356 .015
	Na4 .7562 .3159 .5245 .015
	Na5 .9776 .3071 .9731 .016
	Na6 .5225 .8085 .0187 .015
	Na7 .2667 .3030 .5694 .014
	Na8 .2562 .3164 .9880 .013
	Ce1 .6583 0 .6419 .008
	Ce2 .9206 .9968 .6556 .007
	Ce3 .8417 .4975 .3254 .009
	Ce4 .5794 .4979 .8144 .007
	C1 .3293 -.0197 -.1470 .009
	C2 .8291 -.0208 .8080 .010
	C3 .6966 .5334 .6840 .006
	C4 -.0979 .5358 .0942 .005
	C5 .1002 .0344 .3141 .007
	C6 .8027 .0299 .2900 .009
	C7 .5975 .0313 .2907 .006
	C8 .0010 .8277 .5080 .012
	C9 .5999 .0323 .8865 .008
	C10 .5029 .8275 .4978 .009
	O1 .2945 -.0192 -.0760 .013
	O2 .4005 -.0275 -.0767 .011
	O3 .7086 -.5257 .2899 .013
	O4 .9010 -.0258 .8795 .012
	O5 .7949 -.0155 .6663 .012
	O6 .7914 -.0260 .8716 .013
	O7 .7213 .3480 .7046 .010
	O8 .6841 -.3626 .5699 .013
	O9 .6843 -.3752 .7805 .012
	O10 .0366 .1279 .8708 .013
	O11 .1437 .1258 .8782 .013
	O12 .1106 .8518 .9613 .021
	O13 .9562 -.3650 .7764 .015
	O14 .8870 .3451 .7105 .011
	O15 .8522 -.3742 .5644 .012
	O16 .8169 .1360 .2020 .012
	O17 .7783 -.1499 .2634 .011
	O18 .8156 .1242 .4111 .013
	O19 .3893 .3502 .7401 .020
	O20 .5354 .1291 .2011 .015
	O21 .3555 .6248 .5889 .012
	O22 .9586 .3084 .5517 .017
	O23 .0343 -.1241 .6439 .014
	O24 .0677 .3068 .5599 .017
	O25 .6479 .1255 .8597 .011
	O26 .3879 .3458 .0646 .009
	O27 .4560 -.3637 .1361 .016
	O28 .5678 .3075 .5742 .017
	O29 .5346 .8760 .4250 .017
	O30 .4589 .3100 .3667 .014
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Abenakiite-(Ce)
	McDonald A M, Chao G Y, Grice J D
	The Canadian Mineralogist 32 (1994) 843-854
	Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont
	Saint-Hilaire, Quebec: description and structure determination
	Locality: Mont Saint-Hilaire, Quebec, Canada
	16.020 16.020 19.920 90 90 120 R-3
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si .4299 .8652 .1271 .0085 .0095 .0116 .0048 .0004 .0007
	P .3185 .0006 .0009 .0144 .0140 .0201 .0079 .0012 .0009
	Na1 .3480 .3483 .1712 .0298 .0475 .0231 .0310 -.0002 -.0030
	Na2 .5525 .1046 .7103 .0182 .0255 .0330 .0002 .0058 -.0089
	Na3 1/3 2/3 .0230 .0124 .0124 .0332 .0062 0 0
	Na4 .2088 .7850 .7378 .0483 .0260 .0498 .0062 -.0151 .0104
	Na5 .1121 .2089 .0975 .0350 .0769 .0468 .0409 .0231 .0438
	Ce .53552 .11288 .05834 .5 .0117 .0076 .0125 .0048 .0019 .0006
	Nd .53552 .11288 .05834 .33 .0117 .0076 .0125 .0048 .0019 .0006
	La .53552 .11288 .05834 .17 .0117 .0076 .0125 .0048 .0019 .0006
	C .2657 .7643 .8747 .0110 .0094 .0082 -.0092 -.0029 .0016
	S 2/3 1/3 1/3 .0585
	O1 .4400 .8250 .0555 .0184 .0155 .0125 .0086 .0014 -.0006
	O2 .3141 .8141 .1462 .0106 .0263 .0165 .0059 .0016 .0046
	O3 .8377 .1914 .8014 .0237 .0249 .0175 .0182 -.0017 -.0022
	O4 .5001 .8052 .8433 .0604 .0336 .0241 .0323 .0033 .0019
	O5 .3940 .9682 .9947 .0248 .0277 .0272 .0199 -.0016 -.0049
	O6 .6046 .9600 .7340 .0258 .0406 .0256 .0085 .0086 .0022
	O7 .6301 .9079 .9552 .0193 .0238 .0440 .0120 -.0030 -.0105
	O8 .7691 .0731 .9617 .0268 .0260 .0443 .0098 .0129 .0091
	O9 .3277 .8427 .8480 .0307 .0197 .0300 .0045 .0002 .0086
	O10 .4618 .7162 .9377 .0230 .0151 .0232 .0072 .0098 .0012
	O11 .5774 .2456 .3374 .0588
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Frankhawthorneite
	Grice J D, Roberts A C
	The Canadian Mineralogist 33 (1995) 649-653
	Frankhawthorneite, a unique HCP framework structure of a cupric tellurate
	9.107 5.213 4.605 90 98.74 90 P2_1/n
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu .1780 .5352 -.0002 .0115 .0050 .0101 .0018 -.0020 -.0008
	Te 0 0 0 .0089 .0048 .0042 .0008 .0001 -.0008
	O1 -.012 .297 .241 .006 .009 .007 -.001 -.001 .002
	OH2 .628 .299 .269 .007 .009 .005 .001 .001 .002
	O3 .326 .356 .275 .013 .005 .007 .002 -.002 .003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Varennesite
	Grice J D, Gault R A
	The Canadian Mineralogist 33 (1995) 1073-1081
	Varennesite, a new species of hydrated Na-Mn silicate with a unique
	monophyllosilicate structure
	13.447 15.022 17.601 90 90 90 Cmcm
	atom x y z Uiso
	Na1 .5 .0480 .3372 .0012
	Na2 .7419 .0438 .3385 .0020
	Na3 .8689 0 .5 .0031
	Mn .6216 0 .5 .0010
	Si1 .3861 .1223 .75 .0007
	Si2 .2819 .1637 .5943 .0007
	Si3 .1135 .2924 .5522 .0006
	O1 .5 .1596 .75 .0013
	O2 .3788 .0174 .75 .0014
	O3 .3326 .1715 .8220 .0014
	O4 .1793 .2222 .6021 .0015
	O5 .1459 .2792 .4633 .0009
	O6 .2676 .0650 .5655 .0012
	O7 .5 .2459 .4408 .0010
	O8 .1262 .3927 .5788 .0011
	OH .5 .0524 .5605 .0021
	OW1 .2679 .1729 .25 .0042
	OW2 .5 .1758 .25 .0059
	OW3 .8878 .1143 .3985 .0041
	OW4 0 .0665 .5766 .0030
	OW5 .9057 -.0322 .25 .0009
	OW6 0 .1518 .25 .0062
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jensenite
	Grice J D, Groat L A, Roberts A C
	The Canadian Mineralogist 34 (1996) 55-59
	Jensenite, a cupric tellurate framework structure with two coordinations of
	copper
	9.224 9.180 7.600 90 102.38 90 P2_1/n
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .1209 .8969 .1347 .0113 .0191 .0085 .0008 .0027 -.0016
	Cu2 .1174 .9229 .6432 .0077 .0044 .0114 -.000 -.0010 .0000
	Cu3 .1200 .5844 .6278 .0084 .0045 .0085 -.0010 -.0024 .0003
	Te -.1357 .7564 .3869 .0063 .0056 .0055 -.0003 -.0005 .0000
	O1 .241 .257 .864 .003 .011 .0047 -.001 -.003 -.000
	O2 .542 .282 .868 .008 .010 .007 -.002 -.000 .002
	O3 .234 .572 .881 .003 .003 .005 .000 -.000 .004
	O4 .503 .603 .823 .009 .01 .01 -.001 .000 .003
	O5 .000 .596 .367 .009 .019 .008 .008 -.002 .003
	O6 .729 .617 .443 .006 .010 .012 -.003 .000 -.000
	Wat7 .438 .655 .457 .017 .012 .011 .002 .000 .003
	Wat8 .800 .538 .806 .016 .026 .009 -.001 .000 .004
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Clinoatacamite
	Grice J D, Szymanski J T, Jambor J L
	The Canadian Mineralogist 34 (1996) 73-78
	The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl
	6.144 6.805 9.112 90 99.55 90 P2_1/n
	atom x y z Uiso
	Cu1 0 .5 .5 .0144
	Cu2 0 0 0 .0168
	Cu3 .2586 .2384 .7485 .0155
	O1 .2998 .2962 .5470 .022
	O2 .4190 -.0141 .7727 .022
	O3 .2596 .6792 .5372 .019
	Cl .1116 -.0038 .3068 .0187
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Shomiokite-(Y)
	Grice J D
	The Canadian Mineralogist 34 (1996) 649-655
	The crystal structure of shomiokite-(Y)
	10.042 17.349 5.948 90 90 90 Pbn2_1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Y .32164 .16175 0 .0115 .0140 .0075 .0003 .0005 .0008
	Na1 .6262 .0472 .2782 .0416 .0347 .0111 -.0026 -.0014 .0023
	Na2 -.0155 -.0810 -.2227 .0371 .0389 .0125 -.0009 -.0014 -.0047
	Na3 .3611 .3627 .2871 .0260 .0512 .0124 -.0024 -.0030 -.0005
	C1 -.195 .1941 .274 .0195 .0283 .0088 -.0078 .0027 -.0025
	C2 .121 .0777 -.230 .0382 .0174 .0143 -.0056 -.0068 .0041
	C3 .551 .1016 -.222 .0223 .0296 .0088 -.0021 -.0056 -.0042
	O1 -.1167 .2033 .450 .0356 .0311 .0135 -.0011 -.0108 .0045
	O2 .2314 .2464 -.271 .0325 .0306 .0107 -.0067 -.0036 -.0026
	O3 -.2008 .1311 .171 .0182 .0277 .0340 -.0023 .0028 -.0042
	O4 .0902 .1264 -.064 .0235 .0309 .0252 -.0061 .0078 -.0033
	O5 .2474 .0674 -.263 .0157 .0409 .0130 .0021 -.0003 -.0025
	O6 .0303 .0460 -.344 .0229 .0418 .0153 -.0081 -.0050 -.0050
	O7 .5002 .0626 -.057 .0194 .0361 .0162 -.0006 .0032 .0101
	O8 -.0044 .3322 .234 .0254 .0282 .0075 -.0020 .0057 -.0085
	O9 .6537 .0766 -.327 .0176 .0355 .0236 .0080 -.0009 .0003
	O10 .1915 .2265 .290 .0416 .0472 .0134 .0178 .0043 -.0011
	O11 .4842 .1949 .293 .0410 .0675 .0104 -.0132 -.0026 -.0070
	O12 .2784 .0648 .286 .0463 .0306 .0166 .0027 -.0008 .0074
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Penobsquisite
	Grice J D, Gault R A, Van Velthuizen J
	The Canadian Mineralogist 34 (1996) 657-665
	Penobsquisite: A new borate mineral with a complex framework structure
	11.620 9.407 8.726 90 98.58 90 P2_1
	atom x y z Uiso
	Ca1 .63456 .28302 .47322 .0102
	Ca2 .65876 .48751 .09093 .0108
	Fe .93944 .59614 -.07485 .0134
	Cl .98111 0 .29606 .0232
	B1 .8966 .3404 .3122 .0106
	B2 .6114 .5806 -.3044 .0090
	B3 .4616 .7360 .1648 .0106
	B4 .1575 .6538 .1801 .0093
	B5 .8831 .3442 .0269 .0091
	B6 .4685 .2360 .0994 .0110
	B7 .0729 .4010 .2008 .0110
	B8 .7225 .3678 -.1977 .0083
	B9 .5439 .5887 -.5904 .0104
	O1 .8288 .3293 .1697 .0108
	O2 .0110 .3706 .3326 .0127
	OH3 .8380 .3258 .4385 .0174
	O4 .6768 .4628 -.3244 .0097
	O5 .5551 .6479 -.4319 .0123
	O6 .6053 .6277 -.1577 .0151
	O7 .5328 .6873 .0640 .0135
	O8 .6270 .3244 -.1104 .0111
	O9 .5234 .1989 -.3174 .0127
	O10 .7679 .2444 -.2691 .0103
	O11 .1485 .5218 .2388 .0138
	O12 .0984 .6988 .0378 .0113
	O13 .8083 .4344 -.0826 .0089
	O14 .9917 .4221 .0594 .0097
	Oh15 .5863 .2437 .1914 .0173
	Oh16 .4213 .3782 .0972 .0308
	Oh17 .8560 .7706 -.1776 .0158
	Oh18 .6533 .5499 .3554 .0136
	Oh19 .4807 .4531 .4003 .0149
	OW20 .7105 .0362 .4648 .0222
	OW21 .7159 .9951 .1420 .0482
	OW22 .8714 .6798 .4426 .0351
	OW23 .8311 .6689 .1294 .0265
	H3 .882 .347 .520 .0500
	H15 .620 .166 .162 .0500
	H16 .409 .395 .182 .0500
	H17 .199 .283 .186 .0500
	H18 .713 .597 .405 .0500
	H19 .426 .462 .434 .0500
	H20 .768 .037 .547 .0500
	H20a .724 .010 .390 .0500
	H21 .229 .511 -.131 .0500
	H21a .323 .456 -.066 .0500
	H22 .088 .121 .497 .0500
	H22a .117 .257 .540 .0500
	H23 .817 .751 .109 .0500
	H23a .861 .678 .222 .0500
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Gallobeudantite
	Jambor J L, Owens D R, Grice J D, Feinglos M N
	The Canadian Mineralogist 34 (1996) 1305-1315
	Gallobeudantite, PbGa3[(AsO4),(SO4)]2(OH)6, a new mineral species from Tsumeb,
	Namibia, and associated new gallium analogues of the alunite - jarosite family
	Locality: Tsumeb, Namibia
	7.225 7.225 17.03 90 90 120 R3m
	atom x y z Uiso
	Pb .020 -.014 0 .0402
	Ga .9978 .4989 .4991 .0154
	As 0 0 .6825 .0084
	S 0 0 .3011 .0206
	O1 0 0 .579 .0200
	O2 0 0 .394 .0200
	O3 .752 .876 .7196 .0159
	O4 .216 .784 .9418 .0288
	OH1 .455 .909 .803 .0260
	OH2 .873 .746 .866 .0036
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Sheldrickite
	Grice J D, Gault R A, Van Velthuizen J
	The Canadian Mineralogist 35 (1997) 181-187
	Sheldrickite, a new sodium-calcium-fluorocarbonate mineral
	species from Mont Saint-Hilaire, Quebec
	Locality: Mont Saint-Hilaire, Quebec, Canada
	6.726 6.726 15.044 90 90 120 P3_2
	atom x y z Uiso
	Na .001 .297 .165 .023
	Ca1 .6161 -.0009 0 .011
	Ca2 -.0011 .6284 .0045 .008
	Ca3 .3706 .3710 -.0043 .016
	C1 -.433 .317 .168 .012
	C2 -.568 .752 .169 .013
	O1 .664 .348 .090 .016
	O2 .668 .333 .238 .013
	O3 .353 .273 .167 .017
	O4 .321 .654 -.092 .015
	O5 .336 .666 -.239 .015
	O6 -.354 .921 .165 .025
	OW .203 .202 -.169 .022
	F1 .997 .266 .010 .023
	F2 .271 .002 -.005 .018
	F3 .730 .734 -.020 .015
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Horvathite-(Y)
	Grice J D, Chao G Y
	The Canadian Mineralogist 35 (1997) 743-749
	Horvathite-(Y), rare-earth fluorocarbonate, a new mineral
	species from Mont Saint-Hilaire, Quebec
	Locality: Mont Saint-Hilaire, Quebec, Canada
	6.959 9.170 6.301 90 90 90 Pmcn
	atom x y z Uiso
	Na .25 .2175 .1711 .023
	Y .75 .42143 -.01305 .0092
	C .75 .0590 .0401 .014
	O1 .25 -.1856 -.1309 .019
	O2 .75 .4554 .3421 .026
	O3 .25 .0508 -.1625 .022
	F .5607 .6300 .0420 .018
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Brianroulstonite
	Grice J D, Gault R A, Van Velthuizen J
	The Canadian Mineralogist 35 (1997) 751-758
	Brianroulstonite: A new borate mineral with a sheet structure
	17.367 8.079 8.693 90 121.56 90 Pa
	atom x y z Uiso
	Ca1 .5 .4976 0 .0124
	Ca2 .8880 .2995 .5255 .0140
	Ca3 .1204 .5290 .7562 .0130
	Cl1 .3266 .0109 .9132 .0336
	Cl2 .0894 .0056 .4194 .0314
	B1 .8466 .4608 .1206 .0128
	B2 .6821 .4715 .4502 .0127
	B3 .2354 .4896 .2264 .0129
	B4 .5162 .4998 .3616 .0134
	B5 .3015 .5326 .7890 .0093
	O1 .8200 .4501 .2447 .0136
	O2 .9362 .4802 .1775 .0172
	O3 .2846 .5490 .9387 .0149
	O4 .7446 .4587 .3995 .0152
	O5 .7095 .4600 .6281 .0157
	O6 .5914 .4911 .3248 .0150
	OH1 .1544 .5606 .0688 .0124
	OH2 .2266 .3103 .2034 .0198
	OH3 .5122 .3520 .4551 .0153
	OH4 .5253 .6346 .4805 .0143
	OH5 .3611 .6639 .7917 .0139
	OH6 .3492 .3813 .7992 .0153
	OH7 .9873 .4838 .7321 .0074
	Wat1 .1627 .2463 .8483 .0346
	Wat2 .1399 .8266 .8270 .0416
	Wat3 .9829 .0784 .7214 .0338
	Wat4 .5545 .7839 .0700 .0273
	Wat5 .8903 .0854 .3224 .0347
	Wat6 .5144 .1977 .0451 .0351
	Wat7 .7751 .0875 .4519 .0574
	Wat8 .8825 .7793 .5444 .0275
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Leisingite
	Margison S M, Grice J D, Groat L A
	The Canadian Mineralogist 35 (1997) 759-763
	The crystal structure of leisingite, (Cu,Mg,Zn)2(Mg,Fe)TeO6.6H2O
	5.316 5.316 9.719 90 90 120 P-31m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te 0 0 0 .0114 .0114 .060 .0057 0 0
	Cu 1/3 2/3 0 .0115 .0115 .030 .0058 0 0
	Mg 0 0 .5 .014 .014 .038 .0071 0 0
	O1 .307 0 .1045 .031 .032 .063 .016 -.017 0
	O2 .307 0 .3769 .079 .243 .045 .121 .000 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Potassicpargasite
	Robinson G W, Grice J D, Gault R A, Lalonde A E
	The Canadian Mineralogist 35 (1997) 1535-1540
	Potassicpargasite, a new member of the amphibole group
	from Pargas, Turku-Pori, Finland
	Locality: Pargas, Turku-Pori, Finland
	9.930 18.057 5.316 90 105.37 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)
	MgM1 0 .08992 .5 .53 .0110 .0111 .0085 0 .0035 0
	FeM1 0 .08992 .5 .33 .0110 .0111 .0085 0 .0035 0
	AlM1 0 .08992 .5 .12 .0110 .0111 .0085 0 .0035 0
	TiM1 0 .08992 .5 .02 .0110 .0111 .0085 0 .0035 0
	MgM2 0 .17721 0 .53 .0073 .0069 .0072 0 .0020 0
	FeM2 0 .17721 0 .33 .0073 .0069 .0072 0 .0020 0
	AlM2 0 .17721 0 .12 .0073 .0069 .0072 0 .0020 0
	TiM2 0 .17721 0 .02 .0073 .0069 .0072 0 .0020 0
	MgM3 0 0 0 .53 .0097 .0077 .0074 0 .0016 0
	FeM3 0 0 0 .33 .0097 .0077 .0074 0 .0016 0
	AlM3 0 0 0 .12 .0097 .0077 .0074 0 .0016 0
	TiM3 0 0 0 .02 .0097 .0077 .0074 0 .0016 0
	CaM4 0 .28025 .5 .99 .0125 .0098 .0128 0 .0059 0
	NaM4 0 .28025 .5 .01 .0125 .0098 .0128 0 .0059 0
	KAm .0261 .5 .052 .54 .0459 .0351 .0651 0 .0464 0
	NaAm .0261 .5 .052 .43 .0459 .0351 .0651 0 .0464 0
	KA2 0 .474 0 .54 .0400
	NaA2 0 .474 0 .43 .0400
	SiT1 .27870 .08573 .3040 .78 .0091 .0099 .0092 -.0008 .0018 .0004
	AlT1 .27870 .08573 .3040 .22 .0091 .0099 .0092 -.0008 .0018 .0004
	SiT2 .29038 .17323 .8137 .78 .0076 .0089 .0079 .0005 .0021 .0007
	AlT2 .29038 .17323 .8137 .22 .0076 .0089 .0079 .0005 .0021 .0007
	O1 .1051 .0891 .2164 .0095 .0158 .0092 -.0031 .0022 -.0028
	O2 .1201 .1742 .7329 .0082 .0121 .0121 .0008 .0011 .0010
	O3 .1076 0 .7137 .12 .0167 .0168 .0174 0 .0047 0
	OH3 .1076 0 .7137 .45 .0167 .0168 .0174 0 .0047 0
	F3 .1076 0 .7137 .43 .0167 .0168 .0174 0 .0047 0
	O4 .3673 .2501 .7919 .0154 .0100 .0130 -.0013 .0064 .0007
	O5 .3489 .1389 .1098 .0103 .0152 .0126 .0002 .0010 .0034
	O6 .3441 .1187 .6078 .0111 .0155 .0137 .0006 .0026 -.0037
	O7 .3375 0 .2908 .0154 .0106 .0207 0 .0032 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Thomasclarkite-(Y)
	Grice J D, Gault R A
	The Canadian Mineralogist 36 (1998) 1293-1300
	Thomasclarkite-(Y), a new sodium - rare-earth-element bicarbonate mineral
	species from Mont Saint-Hilaire, Quebec
	Note: z-coodinate for OH2 changed.
	Locality: Mont Saint-Hilaire, Quebec, Canada
	4.556 13.018 4.556 90 90.15 90 P2
	atom x y z Uiso
	Na 0 .3190 0 .043
	Y 0 0 0 .0209
	C 0 .7819 0 .031
	O1 .814 .8320 .204 .049
	OH2 0 .6806 0 .027
	OH3 .169 .1673 .210 .048
	OH4 .199 -.0380 .500 .032
	Wat5 .205 .3911 .499 .057
	Wat6 .824 .608 .487 .068
	Wat7 .5 .0477 .5 .042
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Choloalite
	Lam A E, Groat L A, Grice J D, Ercit T S
	The Canadian Mineralogist 37 (1999) 721-729
	The crystal structure of choloalite
	12.520 12.520 12.520 90 90 90 P4_132
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te .0812 .4406 .3401 .0224 .0204 .0265 .0201 .0034 .0047 -.0005
	Cu .125 .2321 -.5179 .93 .0197 .0193 .0199 .0199 -.0011 .0011 .0091
	Sb .125 .2321 -.5179 .07 .0197 .0193 .0199 .0199 -.0011 .0011 .0091
	Pb1 .1927 .1927 .1927 .90 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073
	Ca1 .1927 .1927 .1927 .10 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073
	Pb2 3/8 3/8 3/8 .90 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076
	Ca2 3/8 3/8 3/8 .10 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076
	O1 .0261 .1205 .2682 .0413
	O2 .1759 .3274 .3738 .0232
	O3 .1857 .5200 .2613 .0248
	Cl 7/8 7/8 7/8 .92 .0548 .0548 .0548 .0548 .0024 .0024 .0024
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hanawaltite
	Grice J D
	The Canadian Mineralogist 37 (1999) 775-778
	Redetermination of the crystal structure of hanawaltite
	11.796 13.890 6.471 90 90 90 Pbma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg1 .1163 .5831 .4705 .0275 .0220 .0293 .0312 -.0029 -.0085 .0000
	Hg2 .2915 .6290 .6751 .0316 .0265 .0369 .0314 -.0086 -.0089 -.0010
	Hg3 .0388 .75 .1336 .0258 .0164 .0263 .0347 0 .0003 0
	Hg4 .2457 .25 .1495 .0337 .0174 .0440 .0397 0 -.0003 0
	Hg5 0 .5 0 .0252 .0193 .0294 .0268 .0017 -.0018 -.0006
	Cl1 .25 .5 .078 .0382 .0289 .0562 .0296 .0057 0 0
	Cl2 .446 .75 .335 .0339 .0167 .0589 .0262 0 -.0004 0
	O1 .360 .75 -.132 .0470 .0095 .0372 .0942 0 -.0009 0
	O2 -.030 .555 .297 .0252 .0317 .0389 .0049 .0015 .0011 .0007
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #1
	Note: additional sites with low but unreported occupancies excluded
	14.2646 14.2646 30.186 90 90 120 R-3m
	atom x y z occ Uiso
	Na1a .2211 -.2211 .0142 .495 .04
	Na1b .2468 -.2468 -.0002 .495 .04
	Na4 .5607 .4393 .1181 .875 .05
	CaNa4 .5607 .4393 .1181 .04 .05
	SrNa4 .5607 .4393 .1181 .02 .05
	KNa4 .5607 .4393 .1181 .05 .05
	CeNa4 .5607 .4393 .1181 .009 .05
	LaNa4 .5607 .4393 .1181 .006 .05
	Na5 -.0766 .0766 .0108 .5 .10
	CaM1 0 .7398 .5 .89 .01
	MnM1 0 .7398 .5 .07 .01
	CeM1 0 .7398 .5 .03 .01
	LaM1 0 .7398 .5 .01 .01
	FeM24 0 .5 .5 .59 .06
	MnM24 0 .5 .5 .04 .06
	MnM25 -.0501 .4749 .4973 .14 .02
	SiM3 0 0 .1272 .42 .04
	NbM3 0 0 .1272 .08 .04
	SiM3a .0222 .0111 .1115 .07 .04
	NbM3a .0222 .0111 .1115 .013 .04
	Si7 0 0 .0789 .21 .01
	NbSi7 0 0 .0789 .04 .01
	Zr .5 .5 0 .01
	Si1 .4036 -.4036 .0845 .01
	Si3 .1249 -.1249 .0912 .01
	Si5 .3397 .2761 .0698 .01
	O1 .2715 -.2715 .0887 .02
	O2 .4474 -.4474 .1228 .02
	O3 .4278 -.4278 .0352 .03
	O7 .2330 .2877 .0596 .03
	O8 .1530 -.1530 .1381 .02
	O9 .0601 -.0601 .0934 .05
	O13 .4369 .3645 .0405 .03
	O14 .3667 .2886 .1218 .02
	O15 .8434 -.8434 .0518 .02
	O19 .0618 -.0618 .8391 .25 .06
	O19a -.1183 .4409 .4965 .09 .06
	O20 0 0 .0269 .43 .02
	ClX1a 0 0 .7410 .06 .07
	OHX1a 0 0 .7410 .10 .07
	ClX1b .0206 -.0206 .7003 .018 .07
	OHX1b .0206 -.0206 .7003 .042 .07
	ClX1c .0509 -.0509 .8068 .018 .07
	OHX1c .0509 -.0509 .8068 .042 .07
	ClX1d 0 0 .7890 .06 .07
	OHX1d 0 0 .7890 .10 .07
	ClX1e 0 0 .6877 .06 .07
	OHX1e 0 0 .6877 .10 .07
	ClX1f .0398 -.0398 .7780 .018 .07
	OHX1f .0398 -.0398 .7780 .042 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #2
	14.2277 14.2277 29.987 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .5943 .9259 .1672 .74 .015
	MnM1 .5943 .9259 .1674 .21 .015
	YM1 .5943 .9259 .1674 .03 .015
	CeM1 .5943 .9259 .1674 .01 .015
	LaM1 .5943 .9259 .1674 .01 .015
	MnM25 .8201 .1799 .1693 .20 .015
	FeM25 .8201 .1799 .1693 .59 .015
	FeM24 .8411 .1589 .1647 .17 .03
	NbM3 0 0 -.1301 .53 .015
	TaM3 0 0 -.1301 .035 .015
	TiM3 0 0 -.1301 .05 .015
	NbM3a 0 0 -.1175 .09 .015
	TaM3a 0 0 -.1175 .005 .015
	TiM3a 0 0 -.1175 .01 .015
	SiM3b 0 0 -.0799 .12 .015
	Si7 0 0 -.0789 .67 .01
	Si7a 0 0 .1198 .33 .03
	Na1a .2251 .7749 .0128 .46 .035
	Na1b .2577 .7423 -.0063 .46 .035
	Na2 .4397 .5603 -.6763 .98 .025
	Na3a .0883 .9117 .2075 .48 .075
	CeNa3a .0883 .9117 .2075 .01 .075
	LaNa3a .0883 .9117 .2075 .005 .075
	NdNa3a .0883 .9117 .2075 .005 .075
	Na3b .1064 .8936 .2149 .48 .075
	CeNa3b .1064 .8936 .2149 .01 .075
	LaNa3b .1064 .8936 .2149 .005 .075
	NdNa3b .1064 .8936 .2149 .005 .075
	Na4 .5662 .4338 .1196 .56 .015
	CeNa4 .5662 .4338 .1196 .11 .015
	LaNa4 .5662 .4338 .1196 .08 .015
	NdNa4 .5662 .4338 .1196 .03 .015
	KNa4 .5662 .4338 .1196 .10 .015
	CaNa4 .5662 .4338 .1196 .08 .015
	SrNa4 .5662 .4338 .1196 .04 .015
	Na5 .7399 .2601 .3168 .92 .065
	Zr .4979 .5021 0 .01
	Si1 .2630 .7370 .2493 .015
	Si2 .4036 .5964 .0865 .015
	Si3 .5403 .4597 .2434 .01
	Si4 .1238 .8762 .0926 .01
	Si5 .9441 .6746 .2630 .01
	Si6 .7238 .0626 .0698 .01
	O1 .3946 .6054 .2458 .025
	O2 .2210 .7790 .2097 .035
	O3 .2367 .7633 .2986 .035
	O4 .2711 .7289 .0927 .03
	O5 .4488 .5512 .1237 .035
	O6 .0922 .9078 .3698 .03
	O7 .6116 .0418 .2736 .015
	O8 .5153 .4847 .1949 .015
	O9 .6047 .3953 .2465 .025
	O10 .7195 .9471 .0505 .025
	O11 .1546 .8454 .139 .02
	O12 .0594 .9406 .1007 .035
	O13 .3001 .8988 -.6263 .02
	O14 .7076 .0774 .1219 .015
	O15 .8414 .1586 .0522 .015
	O16 .7461 .7736 .2929 .02
	O17 .9566 .7010 .2106 .015
	O18 .8203 .1797 .2800 .015
	O19 -.7297 .2703 .1694 .75 .02
	O20 0 0 .026 .75 .02
	ClX1a 0 0 .7372 .11 .03
	OHX1a 0 0 .7372 .14 .03
	ClX1b .0485 .0971 -.2594 .037 .03
	OHX1b .0485 .0971 -.2594 .047 .03
	ClX1c .0502 .1005 -.2283 .037 .03
	OHX1c .0502 .1005 -.2283 .047 .03
	ClX1d .0241 .0482 -.2033 .037 .03
	OHX1d .0241 .0482 -.2033 .047 .03
	ClX2a 0 0 .2437 .08 .03
	OHX2a 0 0 .2437 .17 .03
	ClX2b 0 0 .1732 .08 .03
	OHX2b 0 0 .1732 .17 .03
	ClX2c .0175 .0350 .2931 .027 .03
	OHX2c .0175 .0350 .2931 .057 .03
	ClX2d 0 0 .2627 .08 .03
	OHX2d 0 0 .2627 .17 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentbrooksite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #3
	Note: additional sites with low but unreported occupancies excluded
	14.2602 14.2602 29.980 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .4056 .0745 .8325 .80 .015
	MnM1 .4056 .0745 .8325 .15 .015
	YM1 .4056 .0745 .8325 .03 .015
	CeM1 .4056 .0745 .8325 .01 .015
	LaM1 .4056 .0745 .8325 .01 .015
	MnM25 .1829 .8171 .8295 .48 .015
	FeM25 .1829 .8171 .8295 .26 .015
	FeM24 .1707 .8293 .8354 .23 .03
	NbM3 0 0 .1297 .78 .015
	TaM3 0 0 .1297 .07 .015
	Si7 0 0 .9208 .84 .01
	Si7a 0 0 .8798 .09 .03
	Na1a .7482 .2518 .0034 .46 .035
	Na1b .7761 .2239 .9861 .46 .035
	Na2 .5618 .4382 .6754 .025
	NaNa3a -.1038 .1038 .7861 .97 .075
	CeNa3a -.1038 .1038 .7861 .03 .075
	Na4 .4344 .5656 .8809 .5 .015
	CeNa4 .4344 .5656 .8809 .2 .015
	LaNa4 .4344 .5656 .8809 .15 .015
	NdNa4 .4344 .5656 .8809 .05 .015
	KNa4 .4344 .5656 .8809 .08 .015
	SrNa4 .4344 .5656 .8809 .02 .015
	Na5 .2610 .7390 .6849 .97 .065
	Zr .5034 .4966 0 .01
	Si1 .7371 .2629 .7498 .015
	Si2 .5968 .4032 .9132 .015
	Si3 .4599 .5401 .7557 .01
	Si4 .8770 .1230 .9071 .01
	Si5 .0559 .3255 .7368 .01
	Si6 .2759 -.0624 .9304 .01
	O1 .6053 .3947 .7528 .025
	O2 .7785 .2215 .7896 .035
	O3 .7647 .2353 .7017 .035
	O4 .7284 .2716 .9062 .03
	O5 .5497 .4503 .8767 .035
	O6 .9098 .0902 .6311 .03
	O7 .3902 -.0377 .7263 .015
	O8 .4836 .5164 .8050 .015
	O9 .3955 .6045 .7511 .025
	O10 .2767 .0507 .9397 .025
	O11 .8452 .1548 .8612 .02
	O12 .9406 .0594 .8982 .035
	O13 .7025 .0993 .6257 .02
	O14 .2935 .9236 .8783 .015
	O15 .1598 .8402 .9485 .015
	O16 .2516 .2255 .7068 .02
	O17 .0436 .2995 .7891 .015
	O18 .1802 .8198 .7206 .015
	O19 .2693 .7307 .8309 .9 .02
	O20 0 0 .9738 .84 .02
	ClX1a 0 0 .2649 .36 .03
	OHX1a 0 0 .2649 .14 .03
	ClX1b .9486 .8973 .2613 .12 .03
	OHX1b .9486 .8973 .2613 .05 .03
	ClX2a 0 0 .7511 .18 .03
	OHX2a 0 0 .7511 .32 .03
	ClX2b 0 0 .7104 .18 .03
	OHX2b 0 0 .7104 .32 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentbrooksite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #4
	Note: additional sites with low but unreported occupancies excluded
	14.1854 14.1854 30.101 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .4071 .0743 .8328 .62 .015
	MnM1 .4071 .0743 .8328 .31 .015
	YM1 .4071 .0743 .8328 .02 .015
	CeM1 .4071 .0743 .8328 .03 .015
	LaM1 .4071 .0743 .8328 .02 .015
	MnM25 .1831 .8169 .8309 .52 .015
	FeM25 .1831 .8169 .8309 .18 .015
	FeM24 .1459 .8541 .8345 .17 .03
	NbM3 0 0 .1275 .67 .015
	SiM3 0 0 .1275 .33 .015
	Si7 0 0 .9220 .35 .01
	Si7a 0 0 .8775 .65 .03
	Na1a .7758 .2242 .9870 .49 .035
	Na1b .7378 .2622 .0074 .49 .035
	Na2 .5551 .4449 .6796 .93 .025
	Na3a .8965 .1035 .7861 .97 .075
	CeNa3a .8965 .1035 .7861 .02 .075
	LaNa3a .8965 .1035 .7861 .01 .075
	Na4 .4343 .5657 .8797 .77 .015
	CeNa4 .4343 .5657 .8797 .05 .015
	LaNa4 .4343 .5657 .8797 .03 .015
	NdNa4 .4343 .5657 .8797 .03 .015
	KNa4 .4343 .5657 .8797 .08 .015
	SrNa4 .4343 .5657 .8797 .04 .015
	Na5 .2614 .7386 .6839 .8 .065
	Zr .5013 .4986 0 .92 .01
	Ti .5013 .4986 0 .04 .01
	Nb .5013 .4986 0 .04 .01
	Si1 .7372 .2628 .7516 .015
	Si2 .5964 .4036 .9137 .015
	Si3 .4601 .5399 .7561 .01
	Si4 -.1245 .1245 .9089 .01
	Si5 .0551 .3249 .7366 .01
	Si6 .2779 -.0624 .9302 .01
	O1 .6050 .3950 .7556 .025
	O2 .7776 .2224 .7921 .035
	O3 .7644 .2356 .7043 .035
	O4 .7286 .2714 .9102 .03
	O5 .5523 .4477 .8752 .035
	O6 .9052 .0948 .6301 .03
	O7 .3882 -.0406 .7257 .015
	O8 .4855 .5145 .8036 .015
	O9 .3950 .6050 .7552 .025
	O10 .2847 .0548 .9402 .025
	O11 .8454 .1546 .8615 .02
	O12 .9401 .0599 .9045 .035
	O13 .6948 .1003 .6271 .02
	O14 .2939 .9243 .8782 .015
	O15 .1571 .8429 .9467 .015
	O16 .2545 .2242 .7065 .02
	O17 .0387 .2991 .7884 .015
	O18 .1784 .8216 .7203 .015
	O19 .2700 .7300 .8295 .84 .02
	O20 0 0 .9751 .6 .02
	ClX1a 0 0 .2688 .08 .03
	OHX1a 0 0 .2688 .25 .03
	ClX1b 0 0 .2382 .08 .03
	OHX1b 0 0 .2382 .25 .03
	ClX1c .9575 .9149 .2536 .03 .03
	OHX1c .9575 .9149 .2536 .08 .03
	ClX2a 0 0 .8005 .05 .03
	OHX2a 0 0 .8005 .28 .03
	ClX2b 0 0 .7397 .05 .03
	OHX2b 0 0 .7397 .28 .03
	ClX2c 0 0 .7052 .05 .03
	OHX2c 0 0 .7052 .28 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Oneillite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #5
	14.2084 14.2084 29.959 90 90 120 R3
	atom x y z occ Uiso
	MnM1a .3937 .0640 .8328 .92 .012
	YM1a .3937 .0640 .8328 .08 .012
	CaM1b .4214 .3328 .8325 .59 .017
	CeM1b .4214 .3328 .8325 .10 .017
	LaM1b .4214 .3328 .8325 .06 .017
	NdM1b .4214 .3328 .8325 .03 .017
	NaM1b .4214 .3328 .8325 .22 .017
	FeM25 .1741 .8108 .8302 .38 .013
	MnM25 .1741 .8108 .8302 .32 .013
	ZrM25 .1741 .8108 .8302 .08 .013
	FeM24 .1435 .8355 .8347 .095 .023
	NbM3 0 0 .1293 .87 .012
	Si7 0 0 .9205 .8 .010
	Si7a 0 0 .8728 .2 .026
	Na1a .7400 .2490 .0035 .465 .046
	Na1b .7708 .2196 .9863 .465 .03
	Na2 .5544 .4323 .6760 .044
	Na3 .8984 .1038 .7880 .94 .064
	CeNa3 .8984 .1038 .7880 .03 .064
	LaNa3 .8984 .1038 .7880 .02 .064
	NdNa3 .8984 .1038 .7880 .01 .064
	Na4 .4405 .5696 .8800 .48 .014
	CeNa4 .4405 .5696 .8800 .23 .014
	LaNa4 .4405 .5696 .8800 .13 .014
	NdNa4 .4405 .5696 .8800 .07 .014
	PrNa4 .4405 .5696 .8800 .03 .014
	KNa4 .4405 .5696 .8800 .065 .014
	Na5 .2738 .7515 .6852 .96 .055
	Zr .5119 .5052 0 .98 .009
	Nb .5119 .5052 0 .02 .009
	Si1 .7487 .2748 .7518 .011
	Si2 .6092 .4158 .9120 .013
	Si3 .4619 .5412 .7554 .012
	Si4 .8751 .1212 .9073 .013
	Si5a .0611 .3258 .7370 .010
	Si5b .0486 .7250 .7370 .011
	Si6a .2667 -.0673 .9299 .011
	Si6b .0561 .7134 .9305 .010
	O1 .5984 .3880 .7540 .021
	O2 .7970 .2410 .7917 .021
	O3 .7794 .2483 .7028 .024
	O4 .7150 .2593 .9052 .020
	O5 .5681 .4690 .8755 .029
	O6 .9232 .1050 .6293 .022
	O7a .3844 -.0438 .7248 .017
	O7b .3970 .4274 .7269 .019
	O8 .4928 .5239 .8047 .021
	O9 .3927 .6008 .7507 .026
	O10a .2592 .0418 .9404 .026
	O10b -.0605 .7055 .9393 .014
	O11 .8526 .1628 .8614 .019
	O12 .9178 .0359 .8986 .023
	O13a .7111 .1081 .6252 .023
	O13b .3592 -.0671 .9599 .025
	O14a .2862 .9227 .8774 .014
	O14b .0689 .6935 .8785 .017
	O15 .1526 .8341 .9475 .019
	O16a .2559 .2251 .7046 .020
	O16b -.0211 .2236 .7074 .018
	O17a .0448 .2980 .7891 .018
	O17b .0350 .7369 .7892 .019
	O18 .1734 .8133 .7218 .016
	O19 .2652 .7276 .8308 .90 .025
	O20 0 0 .9733 .8 .014
	ClX1a 0 0 .2660 .14 .03
	OHX1a 0 0 .2660 .19 .03
	ClX1b -.0508 .0506 .2597 .047 .03
	OHX1b -.0508 .0506 .2597 .063 .03
	ClX1c 0 0 .2153 .14 .03
	OHX1c 0 0 .2153 .19 .03
	ClX2a 0 0 .7543 .075 .03
	OHX2a 0 0 .7543 .175 .03
	ClX2b 0 0 .7897 .075 .03
	OHX2b 0 0 .7897 .175 .03
	ClX2c 0 0 .7117 .075 .03
	OHX2c 0 0 .7117 .175 .03
	ClX2d 0 0 .8219 .075 .03
	OHX2d 0 0 .8219 .175 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Khomyakovite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #6
	14.2959 14.2959 30.084 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .5946 .9258 .1675 .015
	FeM25 .8180 .1820 .1702 .52 .015
	MnM25 .8180 .1820 .1702 .27 .015
	FeM24 .8313 .1687 .1654 .18 .03
	WM3 0 0 -.1318 .52 .015
	NbM3 0 0 -.1318 .31 .015
	Si7 0 0 .0773 .6 .01
	Si7a 0 0 .1233 .4 .03
	Na1a .2187 .7813 .0153 .5 .035
	Na1b .2385 .7615 .0055 .5 .035
	Na2 .4378 .5622 -.6757 .025
	Na3 .0973 .9027 .2149 .68 .075
	KNa3 .0973 .9027 .2149 .12 .075
	CaNa3 .0973 .9027 .2149 .13 .075
	SrNa3 .0973 .9027 .2149 .045 .075
	CeNa3 .0973 .9027 .2149 .013 .075
	LaNa3 .0973 .9027 .2149 .012 .075
	Na4 .5670 .4330 .1173 .13 .015
	SrNa4 .5670 .4330 .1173 .87 .015
	Na5 .7361 .2639 .3168 .98 .065
	Zr .4968 .5032 0 .99 .01
	Si1 .2630 .7370 .2502 .015
	Si2 .4033 .5967 .0861 .015
	Si3 .5408 .4592 .2435 .01
	Si4 .1233 .8767 .0923 .01
	Si5 .9449 .6736 .2636 .01
	Si6 .7247 .0620 .0694 .01
	O1 .3945 .6055 .2482 .025
	O2 .2221 .7779 .2105 .035
	O3 .2350 .7650 .2990 .035
	O4 .2715 .7285 .0923 .03
	O5 .4496 .5504 .1224 .035
	O6 .0913 .9087 .3688 .03
	O7 .6097 .0388 .2734 .015
	O8 .5160 .4840 .1952 .015
	O9 .6055 .3945 .2469 .025
	O10 .7219 .9486 .0599 .025
	O11 .1542 .8458 .1387 .02
	O12 .0591 .9409 .0996 .035
	O13 .2982 .9005 -.6257 .02
	O14 .7084 .0765 .1216 .015
	O15 .8408 .1592 .0503 .015
	O16 .7465 .7731 .2936 .02
	O17 .9546 .7006 .2115 .015
	O18 .8189 .1811 .2805 .015
	O19 .7306 .2694 .1695 .02
	O20 0 0 .0254 .73 .02
	ClX1a 0 0 -.2677 .123 .03
	OHX1a 0 0 -.2677 .21 .03
	ClX1b -.0990 -.0495 -.2642 .041 .03
	OHX1b -.0990 -.0495 -.2642 .07 .03
	ClX1c 0 0 -.3194 .123 .03
	OHX1c 0 0 -.3194 .21 .03
	ClX2a 0 0 .2811 .067 .03
	OHX2a 0 0 .2811 .183 .03
	ClX2b 0 0 .2477 .067 .03
	OHX2b 0 0 .2477 .183 .03
	ClX2c 0 0 .1738 .067 .03
	OHX2c 0 0 .1738 .183 .03
	ClX2d -.0370 .0370 .1931 .022 .03
	OHX2d -.0370 .0370 .1931 .061 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Kipawa alkaline complex, Villedieu township, Temiscaminque County, Quebec, Canada
	Sample: #7
	Note: additional sites with low but unreported occupancies excluded
	14.256 14.256 30.351 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 0 .7389 .5 .85 .01
	YM1 0 .7389 .5 .11 .01
	CeM1 0 .7389 .5 .025 .01
	LaM1 0 .7389 .5 .015 .01
	FeM24 0 .5 .5 .51 .06
	MnM24 0 .5 .5 .1 .06
	MnM25 -.0503 .4749 .4977 .07 .02
	SiM3 0 0 .1230 .50 .04
	NbM3 0 0 .1230 .085 .04
	SiM3a .0362 .0181 .1153 .048 .04
	NbM3a .0362 .0181 .1153 .008 .04
	Si7 0 0 .0779 .21 .01
	NbSi7 0 0 .0779 .035 .01
	Na1a .2260 -.2260 .0109 .49 .04
	Na1b .2522 -.2522 -.0035 .49 .04
	Na4 .5641 -.5641 .1180 .48 .05
	CaNa4 .5641 -.5641 .1180 .49 .05
	KNa4 .5641 -.5641 .1180 .03 .05
	Na5 -.0729 .0729 .0124 .51 .1
	Zr .5 .5 0 .01
	Si1 .4036 -.4036 .0845 .01
	Si3 .1250 -.1250 .091 .01
	Si5 .3407 .2776 .07 .01
	O1 .2714 -.2714 .0886 .02
	O2 .4467 -.4467 .1232 .02
	O3 .4284 -.4284 .0357 .03
	O7 .2336 .2886 .0603 .03
	O8 .1519 -.1519 .1384 .02
	O9 .0603 -.0603 .0924 .05
	O13 .4362 .3636 .0395 .03
	O14 .3712 .2964 .1211 .02
	O15 .8433 -.8433 .0537 .02
	O19 .0599 -.0599 .8387 .33 .06
	O20 0 0 .0257 .38 .02
	ClX1a 0 0 .7396 .081 .07
	OHX1a 0 0 .7396 .086 .07
	ClX1b .0483 -.0483 .7458 .027 .07
	OHX1b .0483 -.0483 .7458 .029 .07
	ClX1c .0518 -.0518 .7936 .027 .07
	OHX1c .0518 -.0518 .7936 .029 .07
	ClX1d 0 0 .8093 .081 .07
	OHX1d 0 0 .8093 .086 .07
	ClX1e 0 0 .6911 .081 .07
	OHX1e 0 0 .6911 .086 .07
	ClX1f 0 0 .7751 .081 .07
	OHX1f 0 0 .7751 .086 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Kipawa alkaline complex, Villedieu township, Temiscaminque County, Quebec, Canada
	Sample: #8
	Note: additional sites with low but unreported occupancies excluded
	14.225 14.225 30.302 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 0 .7384 .5 .79 .010
	YM1 0 .7384 .5 .13 .010
	CeM1 0 .7384 .5 .02 .010
	LaM1 0 .7384 .5 .01 .010
	NdM1 0 .7384 .5 .01 .010
	GdM1 0 .7384 .5 .01 .010
	DyM1 0 .7384 .5 .01 .010
	ErM1 0 .7384 .5 .01 .010
	YbM1 0 .7384 .5 .01 .010
	SrM1 0 .7384 .5 .01 .010
	FeM24 0 .5 .5 .44 .064
	MnM24 0 .5 .5 .18 .064
	FeM25 -.0607 .4697 .4979 .04 .02
	MgM25 -.0607 .4697 .4979 .016 .02
	SiM3 0 0 .1201 .61 .039
	TiM3 0 0 .1201 .08 .039
	NbM3 0 0 .1201 .06 .039
	Si7 0 0 .0782 .2 .013
	TiSi7 0 0 .0782 .03 .013
	NbSi7 0 0 .0782 .02 .013
	Na1a .2260 -.2260 .0110 .487 .044
	Na1b .2531 -.2531 -.0045 .487 .044
	Na4 .5645 -.5645 .1177 .63 .053
	CaNa4 .5645 -.5645 .1177 .28 .053
	KNa4 .5645 -.5645 .1177 .07 .053
	CeNa4 .5645 -.5645 .1177 .02 .053
	Na5 -.0732 .0732 .0117 .45 .107
	Zr .5 .5 0 .011
	Si1 .4035 -.4035 .0847 .011
	Si3 .1252 -.1252 .0909 .014
	Si5 .3410 .2778 .0698 .012
	O1 .2717 -.2717 .0884 .022
	O2 .4459 -.4459 .1239 .024
	O3 .4290 -.4290 .0363 .027
	O7 .2319 .2857 .0602 .027
	O8 .1531 -.1531 .1380 .021
	O9 .0602 -.0602 .0935 .055
	O13 .4364 .3631 .0393 .028
	O14 .3708 .2965 .1210 .023
	O15 .8435 -.8435 .0542 .021
	O19 .0583 -.0583 .8376 .34 .061
	O20 0 0 .0265 .29 .024
	ClX1a 0 0 .7373 .096 .069
	FX1a 0 0 .7373 .053 .069
	OHX1a 0 0 .7373 .051 .069
	ClX1b .0488 -.0488 .7452 .032 .03
	FX1b .0488 -.0488 .7452 .018 .03
	OHX1b .0488 -.0488 .7452 .017 .03
	ClX1c .05 -.05 .7937 .032 .03
	FX1c .05 -.05 .7937 .018 .03
	OHX1c .05 -.05 .7937 .017 .03
	ClX1d 0 0 .8003 .096 .03
	FX1d 0 0 .8003 .053 .03
	OHX1d 0 0 .8003 .051 .03
	ClX1e 0 0 .6908 .096 .03
	FX1e 0 0 .6908 .053 .03
	OHX1e 0 0 .6908 .051 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Saint-Amable sill, Varennes, Verchares County, Canada
	Sample: #9
	Note: additional sites with low but unreported occupancies excluded
	14.1697 14.1697 30.142 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 0 .7397 .5 .63 .01
	MnM1 0 .7397 .5 .25 .01
	YM1 0 .7397 .5 .03 .01
	CeM1 0 .7397 .5 .03 .01
	LaM1 0 .7397 .5 .03 .01
	ZrM1 0 .7397 .5 .03 .01
	FeM24 0 .5 .5 .31 .06
	FeM25 -.0369 .4816 .4980 .1 .02
	MnM25 -.0369 .4816 .4980 .13 .02
	TiM25 -.0369 .4816 .4980 .04 .02
	SiM3 0 0 .1195 .473 .04
	NbM3 0 0 .1195 .028 .04
	SiM3a .0354 .0177 .1179 .074 .04
	NbM3a .0354 .0177 .1179 .004 .04
	Si7 0 0 .0784 .252 .01
	SiNb7 0 0 .0784 .013 .01
	Na1a .2206 -.2206 .0141 .455 .04
	Na1b .2483 -.2483 -.0020 .455 .04
	Na4 .5619 -.5619 .1200 .92 .05
	SrNa4 .5619 -.5619 .1200 .02 .05
	KNa4 .5619 -.5619 .1200 .06 .05
	Na5 -.0760 .0760 .0093 .42 .1
	Zr .5 .5 0 .83 .01
	Ti .5 .5 0 .17 .01
	Si1 .4038 -.4038 .0848 .01
	Si3 .1252 -.1252 .0912 .01
	Si5 .3413 .2780 .0699 .01
	O1 .2715 -.2715 .0881 .02
	O2 .4459 -.4459 .1241 .02
	O3 .4294 -.4294 .0362 .03
	O7 .2339 .2891 .0597 .03
	O8 .1536 -.1536 .1380 .02
	O9 .0603 -.0603 .0942 .05
	O13 .4372 .3647 .0395 .03
	O14 .3694 .2929 .1216 .02
	O15 .8427 -.8427 .0530 .02
	O19 .0489 -.0489 .8362 .35 .06
	O20 0 0 .0260 .24 .02
	ClX1a 0 0 .7545 .074 .07
	OHX1a 0 0 .7545 .094 .07
	ClX1b 0 0 .7312 .074 .07
	OHX1b 0 0 .7312 .094 .07
	ClX1c 0 0 .7011 .074 .07
	OHX1c 0 0 .7011 .094 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Gardiner complex, East Greenland
	Sample: #10
	Note: additional sites with low but unreported occupancies excluded
	14.273 14.273 30.131 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 .2604 .2604 .5 .98 .01
	YM1 .2604 .2604 .5 .015 .01
	CeM1 .2604 .2604 .5 .005 .01
	FeM24 5/6 1/6 1/6 .63 .06
	MnM24 5/6 1/6 1/6 .07 .06
	MnM25 -.0647 .4676 .4957 .08 .02
	SiM3 0 0 .1282 .25 .04
	NbM3 0 0 .1282 .02 .04
	SiM3a .0209 .0105 .1114 .10 .04
	NbM3a .0209 .0105 .1114 .01 .04
	Si7 0 0 .0795 .39 .01
	NbSi7 0 0 .0795 .03 .01
	Na1a .2223 -.2223 .0132 .48 .04
	Na1b .2462 -.2462 -.0001 .48 .04
	Na4 .5633 -.5633 .1168 .71 .05
	CaNa4 .5633 -.5633 .1168 .12 .05
	SrNa4 .5633 -.5633 .1168 .11 .05
	KNa4 .5633 -.5633 .1168 .06 .05
	Na5 -.0790 .0790 .0077 .51 .1
	Zr .5 .5 0 .93 .01
	Ti .5 .5 0 .07 .01
	Si1 .2630 -.2630 .2493 .01
	Si3 .5425 -.5425 .242 .01
	Si5 .9426 .6727 .2637 .01
	O1 .2714 -.2714 .0885 .02
	O2 .4474 -.4474 .1224 .02
	O3 .4274 -.4274 .0345 .03
	O7 .2312 .2843 .0594 .03
	O8 .1527 -.1527 .1381 .02
	O9 .0594 -.0594 .0951 .05
	O13 .4360 .3654 .0406 .03
	O14 .3667 .2891 .1215 .02
	O15 .8425 -.8425 .0517 .02
	O19 .7211 -.7211 .1700 .18 .06
	O19a .1347 .4326 .4957 .06 .06
	O20 0 0 .0277 .15 .49
	ClX1a 0 0 .7380 .1 .07
	OHX1a 0 0 .7380 .1 .07
	ClX1b 0 0 .7611 .1 .07
	OHX1b 0 0 .7611 .1 .07
	ClX1c .0503 -.0503 .7883 .033 .07
	OHX1c .0503 -.0503 .7883 .033 .07
	ClX1d 0 0 .7873 .1 .07
	OHX1d 0 0 .7873 .1 .07
	ClX1e 0 0 .6979 .1 .07
	OHX1e 0 0 .6979 .1 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Gardiner complex, East Greenland
	Sample: #11
	14.271 14.271 30.160 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .4057 .0731 .8331 .99 .015
	YM1 .4057 .0731 .8331 .01 .015
	FeM25 .1793 .8207 .8314 .16 .015
	MnM25 .1793 .8207 .8314 .48 .015
	FeM24 .1502 .8498 .8366 .19 .03
	SiM3 0 0 .1302 .44 .015
	NbM3 0 0 .1302 .20 .015
	SiM3a 0 0 .1684 .06 .015
	NbM3a 0 0 .1684 .03 .015
	SiM3b 0 0 .0768 .17 .015
	NbM3b 0 0 .0768 .08 .015
	Si7 0 0 .9214 .22 .01
	NbSi7 0 0 .9214 .10 .01
	Si7a 0 0 .8774 .49 .03
	NbSi7a 0 0 .8774 .23 .03
	Na1a .7833 .2167 .9834 .36 .035
	CaNa1a .7833 .2167 .9834 .14 .035
	Na1b .7584 .2416 -.2500 .36 .035
	CaNa1b .7584 .2416 -.2500 .14 .035
	Na2 .5597 .4403 .6780 .76 .025
	Na3a .8961 .1039 .7839 .61 .075
	KNa3a .8961 .1039 .7839 .1 .075
	SrNa3a .8961 .1039 .7839 .23 .075
	CeNa3a .8961 .1039 .7839 .02 .075
	LaNa3a .8961 .1039 .7839 .02 .075
	BaNa3a .8961 .1039 .7839 .02 .075
	Na4 .4332 .5668 .8815 .79 .015
	SrNa4 .4332 .5668 .8815 .21 .015
	Na5 .2586 .7414 .6821 .065
	Zr .5006 .4994 0 .86 .01
	Ti .5006 .4994 0 .115 .01
	Nb .5006 .4994 0 .025 .01
	Si1 .7371 .2629 .7507 .015
	Si2 .5966 .4034 .9154 .015
	Si3 .4580 .5420 .7568 .01
	Si4 .8749 .1251 .9090 .01
	Si5 .0563 .3264 .7359 .01
	Si6 .2762 -.0631 .9304 .01
	O1 .6049 .3951 .7539 .025
	O2 .7802 .2198 .7895 .035
	O3 .7639 .2361 .7019 .035
	O4 .7285 .2715 .9105 .03
	O5 .5523 .4477 .8771 .035
	O6 .9069 .0931 .6314 .03
	O7 .3840 -.0530 .7266 .015
	O8 .4843 .5157 .8049 .015
	O9 .3948 .6052 .7553 .025
	O10 .2903 .0562 .9413 .025
	O11 .8467 .1533 .8622 .02
	O12 .9414 .0586 .9022 .035
	O13 .6971 .1022 .6269 .02
	O14 .2910 .9215 .8795 .015
	O15 .1561 .8439 .9480 .015
	O16 .2593 .2275 .7070 .02
	O17 .0412 .2997 .7888 .015
	O18 .1762 .8238 .7183 .015
	O19 .2684 .7316 .8307 .63 .02
	O20 0 0 .9748 .375 .02
	O20a 0 0 .0264 .6 .02
	ClX1a 0 0 .2682 .14 .03
	OHX1a 0 0 .2682 .19 .03
	ClX1b 0 0 .2368 .14 .03
	OHX1b 0 0 .2368 .19 .03
	ClX2a 0 0 .7355 .14 .03
	OHX2a 0 0 .7355 .19 .03
	ClX2b 0 0 .7001 .14 .03
	OHX2b 0 0 .7001 .19 .03
	ClX2c .0484 .0968 .7851 .047 .03
	OHX2c .0484 .0968 .7851 .063 .03
	ClX2d 0 0 .7877 .14 .03
	OHX2d 0 0 .7877 .19 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Gardiner complex, East Greenland
	Sample: #12
	Note: additional sites with low but unreported occupancies excluded
	14.2691 14.2691 30.163 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 .2604 .2604 .5 .985 .01
	YM1 .2604 .2604 .5 .01 .01
	CeM1 .2604 .2604 .5 .005 .01
	FeM24 5/6 1/6 1/6 .59 .06
	MnM24 5/6 1/6 1/6 .12 .06
	MnM25 -.0618 .4691 .4967 .065 .02
	SiM3 0 0 .1292 .31 .04
	NbM3 0 0 .1292 .05 .04
	SiM3a .0208 .0104 .1114 .08 .04
	NbM3a .0208 .0104 .1114 .01 .04
	Si7 0 0 .0789 .30 .01
	NbSi7 0 0 .0789 .05 .01
	Na1a .2226 -.2226 .0134 .48 .04
	Na1b .2462 -.2462 -.0008 .48 .04
	Na4 .5634 -.5634 .1171 .71 .05
	CaNa4 .5634 -.5634 .1171 .12 .05
	SrNa4 .5634 -.5634 .1171 .125 .05
	KNa4 .5634 -.5634 .1171 .045 .05
	Na5 -.0780 .0780 .0100 .54 .1
	Zr .5 .5 0 .93 .01
	Ti .5 .5 0 .07 .01
	Si1 .2630 -.2630 .2491 .01
	Si3 .5421 -.5421 .2421 .01
	Si5 .9427 .6728 .2637 .01
	O1 .2715 -.2715 .0885 .02
	O2 .4474 -.4474 .1223 .02
	O3 .4279 -.4279 .0346 .03
	O7 .2319 .2859 .0595 .03
	O8 .1525 -.1525 .1382 .02
	O9 .0598 -.0598 .0939 .05
	O13 .4361 .3653 .0403 .03
	O14 .367 .2895 .1215 .02
	O15 .8429 -.8429 .0517 .02
	O19 .7286 -.7286 .1700 .23 .06
	O19a .7745 -.7745 .1732 .16 .06
	O20 0 0 .0265 .46 .02
	ClX1a 0 0 .7354 .083 .07
	OHX1a 0 0 .7354 .083 .07
	ClX1b 0 0 .7574 .083 .07
	OHX1b 0 0 .7574 .083 .07
	ClX1c .0465 -.0465 .7769 .028 .07
	OHX1c .0465 -.0465 .7769 .028 .07
	ClX1d .0517 -.0517 .8001 .028 .07
	OHX1d .0517 -.0517 .8001 .028 .07
	ClX1e 0 0 .7879 .083 .07
	OHX1e 0 0 .7879 .083 .07
	ClX1f 0 0 .6926 .083 .07
	OHX1f 0 0 .6926 .083 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentbrooksite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Amdrup Fjord, Kangerdlugssuaq intrusion, Eastern Greenland
	Sample: #13
	14.199 14.199 30.139 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .5940 .9257 .1674 .56 .017
	MnM1 .5940 .9257 .1674 .3 .017
	YM1 .5940 .9257 .1674 .07 .017
	CeM1 .5940 .9257 .1674 .04 .017
	LaM1 .5940 .9257 .1674 .03 .017
	MnM25 .8179 .1821 .1693 .66 .014
	FeM25 .8179 .1821 .1693 .15 .014
	AlM25 .8179 .1821 .1693 .05 .014
	FeM24 .8430 .1570 .1643 .1 .03
	NbM3 0 0 -.1281 .55 .014
	ZrM3 0 0 -.1281 .13 .014
	TiM3 0 0 -.1281 .08 .014
	Si7 0 0 .0780 .85 .011
	Si7a 0 0 .1169 .26 .03
	Na1a .2221 .7779 .0156 .485 .033
	CeNa1a .2221 .7779 .0156 .01 .033
	LaNa1a .2221 .7779 .0156 .005 .033
	Na1b .2494 .7508 -.0003 .485 .077
	CeNa1b .2494 .7508 -.0003 .01 .077
	LaNa1b .2494 .7508 -.0003 .005 .077
	Na2 .4442 .5558 -.6787 .79 .023
	Na3a .0889 .9111 .2049 .47 .073
	CeNa3a .0889 .9111 .2049 .015 .073
	LaNa3a .0889 .9111 .2049 .01 .073
	NdNa3a .0889 .9111 .2049 .008 .073
	Na3b .1151 .8849 .2155 .47 .033
	CeNa3b .1151 .8849 .2155 .015 .033
	LaNa3b .1151 .8849 .2155 .01 .033
	NdNa3b .1151 .8849 .2155 .008 .033
	Na4 .5670 .4330 .1204 .62 .015
	CeNa4 .5670 .4330 .1204 .10 .015
	LaNa4 .5670 .4330 .1204 .10 .015
	NdNa4 .5670 .4330 .1204 .03 .015
	KNa4 .5670 .4330 .1204 .1 .015
	SrNa4 .5670 .4330 .1204 .05 .015
	Na5 .7386 .2614 .3139 .065
	Zr .4980 .5020 0 .94 .009
	Ti .4980 .5020 0 .04 .009
	Hf .4980 .5020 0 .02 .009
	Si1 .2628 .7372 .2489 .014
	Si2 .4036 .5964 .0875 .017
	Si3 .5394 .4606 .2446 .011
	Si4 .1248 .8752 .0920 .010
	Si5 .9460 .6764 .2632 .009
	Si6 .7229 .0626 .0697 .010
	O1 .3951 .6049 .2450 .024
	O2 .2218 .7782 .2078 .033
	O3 .2349 .7651 .2966 .034
	O4 .2712 .7288 .0923 .029
	O5 .4473 .5527 .1252 .036
	O6 .0941 .9059 .3713 .030
	O7 .6098 .0380 .2742 .015
	O8 .5159 .4841 .1959 .015
	O9 .6044 .3956 .2484 .023
	O10 .7159 .9452 .0599 .025
	O11 .1551 .8449 .1385 .017
	O12 .0596 .9404 .1004 .036
	O13 .3022 .8981 -.6267 .022
	O14 .7036 .0742 .1211 .016
	O15 .8435 .1565 .0530 .016
	O16 .7497 .7755 .2945 .021
	O17 .9607 .7038 .2108 .017
	O18 .8202 .1798 .2781 .014
	O19 .7299 .2701 .1707 .87 .021
	O20 0 0 .0248 .95 .022
	ClX1a 0 0 -.2661 .034 .03
	FX1a 0 0 -.2661 .193 .03
	OHX1a 0 0 -.2661 .024 .03
	ClX1b .0501 .1002 -.2609 .011 .03
	FX1b .0501 .1002 -.2609 .064 .03
	OHX1b .0501 .1002 -.2609 .008 .03
	ClX1c .0258 .0517 -.2454 .011 .03
	FX1c .0258 .0517 -.2454 .064 .03
	OHX1c .0258 .0517 -.2454 .008 .03
	ClX2a 0 0 .2385 .034 .03
	FX2a 0 0 .2385 .193 .03
	OHX2a 0 0 .2385 .024 .03
	ClX2b 0 0 .2091 .034 .03
	FX2b 0 0 .2091 .193 .03
	OHX2b 0 0 .2091 .024 .03
	ClX2c .0197 .0394 .2920 .011 .03
	FX2c .0197 .0394 .2920 .064 .03
	OHX2c .0197 .0394 .2920 .008 .03
	ClX2d 0 0 .2615 .034 .03
	FX2d 0 0 .2615 .193 .03
	OHX2d 0 0 .2615 .024 .03
	ClX2e 0 0 .1728 .034 .03
	FX2e 0 0 .1728 .193 .03
	OHX2e 0 0 .1728 .024 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Loclaity: Narssarssuk pegmatite, South Greenland
	Sample: #14
	Note: additional sites with low but unreported occupancies excluded
	14.2257 14.2257 30.006 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 0 .7399 .5 .87 .01
	MnM1 0 .7399 .5 .05 .01
	YM1 0 .7399 .5 .03 .01
	CeM1 0 .7399 .5 .012 .01
	NdM1 0 .7399 .5 .006 .01
	LaM1 0 .7399 .5 .003 .01
	FeM24 0 .5 .5 .8 .06
	MnM25 -.0555 .4723 .4966 .05 .02
	FeM25 -.0555 .4723 .4966 .035 .02
	SiM3 0 0 -.1270 .17 .04
	NbM3 0 0 -.1270 .01 .04
	SiM3b .0132 -.0132 -.1133 .13 .04
	NbM3b .0132 -.0132 -.1133 .008 .04
	Si7 0 0 .0808 .375 .01
	Si7 0 0 .0808 .024 .01
	Na1a .2250 -.2250 .0116 .48 .04
	Na1b .2493 -.2493 -.0027 .48 .04
	Na4 .5623 -.5623 .1167 .92 .05
	CeNa4 .5623 -.5623 .1167 .02 .05
	SrNa4 .5623 -.5623 .1167 .01 .05
	KNa4 .5623 -.5623 .1167 .05 .05
	Na5 -.0661 .0946 .0052 .25 .1
	Zr .5 .5 0 .95 .01
	Ti .5 .5 0 .03 .01
	Nb .5 .5 0 .02 .01
	Si1 .4035 -.4035 .084 .01
	Si3 .1241 -.1241 .0919 .01
	Si5 .3391 .2756 .0700 .01
	O1 .2717 -.2717 .0890 .02
	O2 .4475 -.4475 .1222 .02
	O3 .4267 -.4267 .0340 .03
	O7 .2305 .2827 .0597 .03
	O8 .1537 -.1537 .1382 .02
	O9 .0595 -.0595 .0967 .05
	O13 .4351 .3669 .0413 .03
	O14 .3663 .2880 .1223 .02
	O15 .8413 -.8413 .0511 .02
	O19 .0469 -.0469 .8381 .26 .06
	O20 0 0 .0278 .49 .02
	ClX1a 0 0 .7428 .8 .07
	OHX1a 0 0 .7428 .2 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Eudialyte
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Illimaussaq complex, South Greenland
	Sample: #15
	Note: additional sites with low but unreported occupancies excluded
	Note: y(M3a) adjusted to satisfy symmetry constraints
	14.242 14.242 30.004 90 90 120 R-3m
	atom x y z occ Uiso
	CaM1 .2602 .2602 .5 .86 .01
	FeM1 .2602 .2602 .5 .04 .01
	MnM1 .2602 .2602 .5 .04 .01
	YM1 .2602 .2602 .5 .02 .01
	CeM1 .2602 .2602 .5 .02 .01
	LaM1 .2602 .2602 .5 .01 .01
	NdM1 .2602 .2602 .5 .01 .01
	FeM25 5/6 1/6 1/6 .84 .06
	FeM25 .8090 -.8090 .1713 .08 .02
	SiM3 0 0 -.1302 .26 .04
	NbM3 0 0 -.1302 .02 .04
	SiM3a .0125 .00625 .1147 .12 .04
	NbM3a .0125 .00625 .1147 .01 .04
	Si7 0 0 .0802 .295 .01
	NbSi7 0 0 .0802 .02 .01
	Na1a .2228 -.2228 .0133 .495 .04
	Na1b .2487 -.2487 -.0021 .495 .04
	NaNa4 .5640 -.5640 .1184 .82 .05
	CaNa4 .5640 -.5640 .1184 .075 .05
	SrNa4 .5640 -.5640 .1184 .01 .05
	CeNa4 .5640 -.5640 .1184 .02 .05
	LaNa4 .5640 -.5640 .1184 .012 .05
	NdNa4 .5640 -.5640 .1184 .013 .05
	KNa4 .5640 -.5640 .1184 .05 .05
	Na5 .7438 -.7438 .3247 .53 .1
	Zr .5 .5 0 .98 .01
	Nb .5 .5 0 .02 .01
	Si1 .2632 -.2632 .249 .01
	Si3 .5423 -.5423 .2413 .01
	Si5 .9424 .6728 .2632 .01
	O1 .2715 -.2715 .089 .02
	O2 .4479 -.4479 .1225 .02
	O3 .427 -.4270 .0346 .03
	O7 .2315 .2846 .0603 .03
	O8 .1534 -.1534 .1388 .02
	O9 -.3935 -.6065 .2384 .05
	O13 .4366 .3654 .0411 .03
	O14 .3669 .2881 .1223 .02
	O15 .8429 -.8429 .0519 .02
	O19 .7218 -.7218 .1691 .30 .06
	O20 0 0 .0278 .45 .02
	ClX1a 0 0 .7442 .29 .07
	OHX1a 0 0 .7442 .21 .07
	ClX1b .0403 -.0403 .7733 .097 .07
	OHX1b .0403 -.0403 .7733 .07 .07
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentbrooksite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada
	Sample: #16
	14.2784 14.2784 30.089 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .5951 .9260 .1676 .825 .015
	MnM1 .5951 .9260 .1676 .11 .015
	CeM1 .5951 .9260 .1676 .032 .015
	LaM1 .5951 .9260 .1676 .023 .015
	NdM1 .5951 .9260 .1676 .01 .015
	FeM25 .8169 .1831 .1696 .26 .015
	MnM25 .8169 .1831 .1696 .61 .015
	FeM24 .8371 .1629 .1671 .09 .03
	NbM3 0 0 -.1295 .95 .015
	Si7 0 0 .0782 .82 .01
	Si7a 0 0 .1169 .11 .03
	Na1a .2255 .7745 .0135 .495 .035
	Na1b .2568 .7432 -.0043 .495 .075
	Na2 .4391 .5609 .3245 .98 .025
	Na3a .0859 .9141 .2063 .53
	Na3b .1116 .8884 .2167 .53
	Na4 .5664 .4336 .1188 .32 .015
	KNa4 .5664 .4336 .1188 .11 .015
	SrNa4 .5664 .4336 .1188 .24 .015
	CeNa4 .5664 .4336 .1188 .13 .015
	LaNa4 .5664 .4336 .1188 .09 .015
	NdNa4 .5664 .4336 .1188 .03 .015
	YNa4 .5664 .4336 .1188 .08 .015
	Na5 .7382 .2618 .3136 .065
	Zr .4967 .5033 0 .99 .01
	Si1 .2629 .7371 .2501 .015
	Si2 .4033 .5967 .0868 .015
	Si3 .5398 .4602 .2446 .01
	Si4 .1232 .8768 .0924 .01
	Si5 .9443 .6746 .2634 .01
	Si6 .7241 .0622 .0693 .01
	O1 .3946 .6054 .2479 .025
	O2 .2220 .7780 .2095 .035
	O3 .2348 .7652 .2984 .035
	O4 .2723 .7277 .0937 .03
	O5 .4493 .5507 .1232 .035
	O6 .0910 .9090 .3698 .03
	O7 .6101 .0367 .2738 .015
	O8 .5164 .4836 .1956 .015
	O9 .6043 .3957 .2495 .025
	O10 .7224 .9485 .0598 .025
	O11 .1546 .8454 .1385 .02
	O12 .0593 .9407 .1006 .035
	O13 .2981 .9008 -.6259 .02
	O14 .7053 .0752 .1212 .015
	O15 .8407 .1593 .0520 .015
	O16 .7493 .7752 .2939 .02
	O17 .9571 .7011 .2111 .015
	O18 .8195 .1805 .2797 .015
	O19 .7305 .2695 .1694 .02
	O20 0 0 .0254 .02
	ClX1a 0 0 -.2654 .09 .03
	OHX1a 0 0 -.2654 .31 .03
	ClX1b .0501 .1003 -.2622 .03 .03
	OHX1b .0501 .1003 -.2622 .103 .03
	ClX1c 0 0 -.3082 .09 .03
	OHX1c 0 0 -.3082 .31 .03
	ClX2a 0 0 .2804 .09 .03
	OHX2a 0 0 .2804 .31 .03
	ClX2b 0 0 .2484 .09 .03
	OHX2b 0 0 .2484 .31 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kentbrooksite
	Johnsen O, Grice J D
	The Canadian Mineralogist 37 (1999) 865-891
	The crystal chemistry of the eudialyte group
	Locality: Locality: Burpala massif, Siberia, Russia
	Sample: #17
	Note: additional sites with low but unreported occupancies excluded
	Note: X2d reported but missing z-coordinate
	14.220 14.220 30.150 90 90 120 R3m
	atom x y z occ Uiso
	CaM1 .5949 .9263 .1672 .585 .015
	MnM1 .5949 .9263 .1672 .25 .015
	CeM1 .5949 .9263 .1672 .04 .015
	LaM1 .5949 .9263 .1672 .02 .015
	NdM1 .5949 .9263 .1672 .013 .015
	YbM1 .5949 .9263 .1672 .007 .015
	YM1 .5949 .9263 .1672 .085 .015
	FeM25 .8172 .1828 .1697 .12 .015
	MnM25 .8172 .1828 .1697 .22 .015
	AlM25 .8172 .1828 .1697 .14 .015
	TiM25 .8172 .1828 .1697 .08 .015
	FeM24 .8368 .1632 .1661 .38 .03
	SiM3 0 0 -.1290 .54 .015
	NbM3 0 0 -.1290 .26 .015
	AlM3 0 0 -.1290 .24 .015
	ZrM3 0 0 -.1290 .12 .015
	Si7 0 0 .0780 .09 .01
	NbSi7 0 0 .0780 .05 .01
	AlSi7 0 0 .0780 .04 .01
	ZrSi7 0 0 .0780 .02 .01
	Si7a 0 0 .1192 .31 .03
	NbSi7a 0 0 .1192 .15 .03
	AlSi7a 0 0 .1192 .14 .03
	ZrSi7a 0 0 .1192 .066 .03
	Na1a .2213 .7787 .0128 .485 .035
	CeNa1a .2213 .7787 .0128 .007 .035
	LaNa1a .2213 .7787 .0128 .003 .035
	NaNa1b .2543 .7457 -.0026 .485 .035
	CeNa1b .2543 .7457 -.0026 .007 .035
	LaNa1b .2543 .7457 -.0026 .003 .035
	Na2 .4368 .5632 -.6750 .84 .025
	NaNa3a .0982 .9018 .2150 .95 .075
	CeNa3a .0982 .9018 .2150 .025 .075
	LaNa3a .0982 .9018 .2150 .016 .075
	NdNa3a .0982 .9018 .2150 .06 .075
	YbNa3a .0982 .9018 .2150 .03 .075
	Na4 .5655 .4345 .1180 .56 .015
	KNa4 .5655 .4345 .1180 .095 .015
	SrNa4 .5655 .4345 .1180 .19 .015
	BaNa4 .5655 .4345 .1180 .01 .015
	CeNa4 .5655 .4345 .1180 .072 .015
	LaNa4 .5655 .4345 .1180 .047 .015
	NdNa4 .5655 .4345 .1180 .023 .015
	YbNa4 .5655 .4345 .1180 .003 .015
	Na5 .7311 .2689 .3221 .065
	Zr .4975 .5025 0 .96 .01
	Ti .4975 .5025 0 .04 .01
	Si1 .2629 .7371 .2493 .015
	Si2 .4032 .5968 .0868 .015
	Si3 .5393 .4607 .2433 .01
	Si4 .1239 .8761 .092 .01
	Si5 .9439 .6736 .2634 .01
	Si6 .7235 .0630 .0698 .01
	O1 .3946 .6054 .2463 .025
	O2 .2232 .7768 .2077 .035
	O3 .2321 .7679 .2964 .035
	O4 .2711 .7289 .0916 .03
	O5 .4481 .5519 .124 .035
	O6 .0911 .9089 .3701 .03
	O7 .6109 .0423 .2743 .015
	O8 .5134 .4866 .196 .015
	O9 .6043 .3957 .2423 .025
	O10 .7176 .9465 .0608 .025
	O11 .1557 .8443 .1386 .02
	O12 .0594 .9406 .0977 .035
	O13 .3015 .9013 .3737 .02
	O14 .7063 .0748 .1215 .015
	O15 .8435 .1565 .0531 .015
	O16 .7463 .7739 .2998 .02
	O17 .9593 .7007 .2113 .015
	O18 .8216 .1784 .2787 .015
	O19 .7290 .2710 .1669 .85 .02
	O20 0 0 .0224 .13 .02
	O20a 0 0 -.0303 .25 .02
	ClX1a 0 0 -.2706 .16 .03
	FX1a 0 0 -.2706 .24 .03
	ClX1b .0474 -.0474 -.2615 .053 .03
	FX1b .0474 -.0474 -.2615 .08 .03
	ClX2a 0 0 .2516 .16 .03
	FX2a 0 0 .2516 .24 .03
	ClX2b 0 0 .2721 .16 .03
	FX2b 0 0 .2721 .24 .03
	ClX2c .0191 .0382 .2921 .053 .03
	FX2c .0191 .0382 .2921 .08 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kettnerite
	Grice J D, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 37 (1999) 923-927
	Crystal-structure determination of twinned kettnerite
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Walfordite
	Back M E, Grice J D, Gault R A, Criddle A J, Mandarino J A
	The Canadian Mineralogist 37 (1999) 1261-1268
	Walforite, a new tellurite species from the Wendy Open Pit, El Indio-Tambo
	Mining Property, Chile
	Locality: Wendy Open Pit, El Indio-Tambo Mining Property, Chile
	11.011 11.011 11.011 90 90 90 I2_1/a-3
	atom x y z occ Uiso
	Fe 0 0 0 .59 .0114
	Te 0 0 0 .28 .0114
	Ti 0 0 0 .08 .0114
	Mg 0 0 0 .05 .0114
	Te .21099 0 1/4 .0197
	O1 .4361 .1335 .3962 .0248
	O2 .1725 .1725 .1725 .0213
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Yoshimuraite
	McDonald A M, Grice J D, Chao G Y
	The Canadian Mineralogist 38 (2000) 649-656
	The crystal structure of yoshimuraite, a layered Ba-Mn-Ti silicophosphate,
	with comments on five-coordinated Ti
	6.999 14.748 5.386 93.62 89.98 95.50 P-1
	atom x y z occ
	Ba1 .33664 .32839 .22065
	Ba2 .82198 .39244 -.26926
	Mn1 0 0 0
	Mn2 .24817 -.00484 .49933
	Mn3 0 .5 0
	Ti .79479 .20281 .19897 .78
	Fe .79479 .20281 .19897 .22
	Si1 .06444 .18813 -.30518
	Si2 .51303 .18517 .69546
	P .71812 .52290 .25371 .46
	S .71812 .52290 .25371 .34
	Si .71812 .52290 .25371 .17
	O1 .68966 .41905 .23644
	O2 .60802 .23223 .45759
	O3 -.00953 .23529 -.04731
	O4 -.00825 .23654 .45609
	O5 .60787 .23087 -.04905
	O6 .82858 .55356 .03761
	O7 .17183 .44764 .51800
	O8 .48855 -.07530 .32539
	O9 -.22796 .08182 .18342
	O10 .29597 .21492 .69743
	OH11 .26219 .06656 .17306
	O12 .01737 .07821 -.32642
	O13 .53965 .57034 .26244
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fencooperite
	Grice J D
	The Canadian Mineralogist 39 (2001) 1065-1071
	The crystal structure of fencooperite: Unique [Fe3O13] pinwheels
	cross-connected by [Si8O22] islands
	10.7409 10.7409 7.0955 90 90 120 P3m1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba1 .82749 .17251 0 .0216 .0101 .0101 .0447 .0053 -.0003 .0003
	Ba2 .51607 .48393 .5006 .0134 .0132 .0132 .0091 .0032 .0001 -.0001
	Fe .4373 .5627 .0010 .0098 .0075 .0075 .0115 .0015 -.0002 .0002
	Si1 0 0 .7218 .007 .005 .005 .010 .0027 0 0
	Si2 .1678 .3356 .7284 .0092 .015 .007 .002 .0036 .0008 .002
	Si3 0 0 .2789 .008 .010 .010 .004 .0053 0 0
	Si4 .1669 .8331 .2704 .0118 .020 .020 .006 .019 .0011 -.0011
	C1 2/3 1/3 .181 .049
	C2 2/3 1/3 .716 .039
	O1 0 0 .498 .047 .065 .065 .009 .032 0 0
	O2 .0822 .1644 .797 .019 .030 .014 .008 .007 .002 .005
	O3 .3316 -.0777 .804 .024 .014 .036 .025 .014 .011 .017
	O4 .167 .334 .505 .060 .119 .019 .007 .010 -.002 -.004
	O5 .0819 .1638 .199 .012 .015 .011 .009 .006 -.001 -.002
	O6 .5933 -.0769 .196 .019 .011 .025 .023 .010 .000 -.011
	O7 1/3 2/3 -.006 .018 .007 .007 .041 .003 0 0
	O8 .5972 .4028 .176 .062 .041 .041 .100 .018 .008 -.008
	O9 .7366 .2634 .711 .036 .027 .027 .055 .0014 .004 -.004
	OW10 1/3 2/3 .504 .048 .052 .052 .041 .026 0 0
	Cl .8361 .1639 .501 .54 .034 .031 .031 .032 .008 -.000 .000
	OH .8361 .1639 .501 .46 .034 .031 .031 .032 .008 -.000 .000
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Orthominasragrite
	Hawthorne F C, Schindler M, Grice J D, Haynes P
	The Canadian Mineralogist 39 (2001) 1325-1331
	Orthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple
	Mountain, Emery county, Utah, U.S.A.
	Locality: Temple Mountain, Emery county, Utah, USA
	7.242 9.319 6.192 90 90 90 Pmn2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	V 0 .2867 0 .0188 .0165 .0173 0 0 -.0035
	S 0 .7647 -.0238 .0181 .0164 .0188 0 0 .0011
	O(1) 0 .3468 .239 .0447 .0285 .0249 0 0 -.0098
	OW(2) 0 .1708 .6848 .0302 .0308 .0152 0 0 .0000
	OW(3) .2030 .1390 .0459 .0297 .0187 .0282 .0034 -.0090 -.0021
	OW(4) .1938 .4154 .8681 .0208 .0240 .0494 -.0012 .0102 .0024
	O(5) .1653 .8563 -.0429 .0174 .0244 .0259 -.0036 .0028 .0032
	O(6) 0 .6608 .7997 .0367 .0184 .0391 0 0 -.0007
	O(7) 0 .6911 .1881 .0245 .0367 .0238 0 0 .0111
	H(1) 0 .157 .528 .030
	H(2) 0 .256 .592 .030
	H(3) .164 .045 -.007 .030
	H(4) .274 .131 .180 .030
	H(5) .306 .370 .812 .030
	H(6) .189 .517 .829 .030
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Bismutite
	Grice J D
	The Canadian Mineralogist 40 (2002) 693-698
	A solution to the crystal structures of bismutite and beyerite
	3.865 3.862 13.675 90 90 90 Imm2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 0 0 .0164 .0147 .0116 .0228 0 0 0
	Bi2 1/2 1/2 .18433 .0171 .0150 .0061 .0303 0 0 0
	C 0 0 .338 .012 .014 .014 .006 0 0 0
	O1 0 1/2 .104 .019 .018 .019 .020 0 0 0
	O2 1/2 0 .102 .014 .016 .010 .018 0 0 0
	O3 0 .286 .305 .038 .038 .037 .038 0 0 -.000
	O4 0 0 .443 .027 .031 .033 .018 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Beyerite
	Grice J D
	The Canadian Mineralogist 40 (2002) 693-698
	A solution to the crystal structures of bismutite and beyerite
	3.7729 3.7742 21.726 90 90 90 Immm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi 0 0 -.30915 .01051 .0111 .0114 .0091 0 0 0
	Ca 0 0 1/2 .0109 .0111 .010 .0119 0 0 0
	C 1/2 1/2 .4107 .014 .012 .026 .004 0 0 0
	O1 1/2 0 .2558 .005 .006 .007 .000 0 0 0
	O2 1/2 .207 .4379 .0158 .014 .015 .018 0 0 .007
	O3 1/2 1/2 .3498 .020 .031 .024 .004 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Meliphanite
	Grice J D, Hawthorne F C
	The Canadian Mineralogist 40 (2002) 971-980
	New data on meliphanite, Ca4(Na,Ca)4Be4AlSi7O24(F,O)4
	10.5257 10.5257 9.8868 90 90 90 I-4
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .25462 .09040 .25568 .0102 .0129 .0083 .0094 .0000 -.0013 .0010
	Na .23900 .08693 .75073 .0242 .0387 .0147 .0192 .0007 .0054 .0025
	Al 0 0 0 .0063 .0061 .0061 .0069 0 0 0
	Si1 0 0 .5 .0069 .0057 .0057 .0094 0 0 0
	Si2 .5 0 .00573 .0096 .0089 .0091 .0109 -.0003 0 0
	Si3 .25251 .88834 .97402 .0085 .0088 .0081 .0085 .0002 -.0007 -.0004
	Be .24830 .89319 .47330 .0085 .0092 .0066 .0097 -.0000 .0002 .0012
	O1 .25297 .25601 .08835 .0093 .0076 .0126 .0078 -.0002 -.0011 .0001
	O2 .12502 .96902 .40747 .0108 .0083 .0118 .0124 .0018 .0019 .0025
	O3 .12831 .95323 .90262 .0101 .0080 .0122 .0100 .0023 -.0011 .0020
	O4 .37662 .95923 .40499 .0093 .0069 .0104 .0107 -.0019 -.0016 .0020
	O5 .37771 .96106 .90772 .0110 .0096 .0129 .0105 -.0030 -.0011 .0013
	O6 .25369 .89533 .13478 .0096 .0107 .0106 .0076 .0003 -.0008 -.0004
	F .24825 .89211 .63154 .0139 .0155 .0157 .0104 -.0011 .0006 -.0016
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Walkerite
	Grice J D, Gault R A, Van Velthuizen J, Pratt A
	The Canadian Mineralogist 40 (2002) 1675-1686
	Walkerite, a new borate mineral species in an evaporitic sequence from
	Sussex, New Brunswick, Canada
	Locality: Sussex, New Brunswick, Canada
	15.5484 22.6720 8.7722 90 90 90 Pba2
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .22032 .11193 .6118 .0147 .0208 .0115 .0119 .0002 -.0010 -.0004
	Ca2 .34082 .35920 .5024 .0137 .0158 .0148 .0107 -.0016 .0010 -.0002
	Ca3 .23942 .41866 .1149 .0154 .0208 .0134 .0119 -.0005 .0014 -.0007
	Ca4 .11625 .16220 0 .0186 .0152 .0300 .0106 -.0032 -.0004 .0026
	Mg1 0 0 .0529 .0160 .0123 .0235 .0121 -.0023 0 0
	Cl1 .5279 .19194 .6788 .0397 .0390 .0367 .0435 .0076 -.0173 -.0089
	Cl2 1/2 0 .7865 .0445 .0509 .0477 .0350 .0187 0 0
	B1 .2199 .0636 .2296 .0173 .0233 .0186 .0100 -.0010 .0001 .0014
	B2 .1966 .2743 .2839 .0136 .0082 .0170 .0157 -.0018 .0058 .0000
	B3 -.0898 .1253 -.1184 .0147 .0114 .0148 .0179 -.0011 -.0013 .0029
	B4 .2565 .4665 .7296 .0135 .0107 .0141 .0157 -.0009 -.0014 -.0017
	B5 .0526 .1447 .3820 .0163 .0160 .0176 .0152 .0002 -.0019 .0007
	B6 .2510 .2540 .7454 .0148 .0164 .0153 .0126 .0014 -.0066 -.0013
	B7 .2139 -.0086 .4565 .0162 .0212 .0189 .0084 .0019 -.0035 .0005
	B8 .0168 .1215 .6546 .0146 .0121 .0237 .0080 -.0022 -.0013 -.0026
	B9 .2559 .3619 .8098 .0136 .0238 .0122 .0048 -.0032 .0029 -.0045
	B10 .2996 .5336 -.04700 .0208 .0380 .0114 .0132 -.0084 -.0023 -.0006
	B11 .2938 .2290 .4775 .0148 .0225 .0109 .0112 .0002 .0047 -.0003
	B12 .2046 .1692 .3044 .0138 .0149 .0161 .0102 .0026 -.0046 -.0035
	B13 -.0472 .1141 .1636 .0203 .0118 .0373 .0117 .0027 -.0002 .0067
	O1 .2100 .1221 .1917 .0144 .0232 .0095 .0104 .0001 .0023 -.0001
	O2 .2239 .0480 .3786 .0206 .0343 .0177 .0100 -.0010 -.0040 .0022
	O3 .2769 .5229 .1155 .0287 .0619 .0106 .0136 -.0060 .0049 -.0008
	O4 .2432 .2800 .4134 .0144 .0222 .0109 .0101 .0000 -.0031 .0008
	OH5 .1670 .3260 .2144 .0208 .0325 .0110 .0188 -.0002 -.0053 .0022
	O6 .1797 .2219 .2161 .0130 .0171 .0082 .0137 -.0005 -.0022 -.0018
	O7 -.1749 .1290 -.0791 .0153 .0133 .0170 .0156 .0040 -.0014 .0006
	O8 -.0308 .1237 -.0016 .0198 .0135 .0370 .0088 -.0005 .0041 .0006
	O9 .4333 .3774 .7328 .0174 .0149 .0278 .0096 .0027 .0016 -.0004
	O10 .2574 .4837 -.1202 .0180 .0298 .0128 .0114 -.0041 .0020 .0009
	O11 .2522 .4085 .6948 .0147 .0190 .0128 .0122 -.0004 -.0001 .0007
	O12 .2399 .0065 .6136 .0155 .0222 .0127 .0116 .0009 -.0034 -.0052
	O13 .1360 .1561 .4180 .0142 .0148 .0199 .0080 -.0009 .0011 .0001
	O14 .0292 .1413 .2326 .0270 .0153 .0544 .0112 -.0108 -.0022 .0050
	O15 .4948 .3639 .4973 .0171 .0139 .0259 .0115 .0032 -.0033 -.0021
	O16 .2630 .2125 .6347 .0154 .0224 .0145 .0092 -.0026 .0012 .0034
	O17 .2719 .3094 .7200 .0168 .0249 .0121 .0134 -.0030 .0041 .0000
	OH18 .2183 .2339 .8847 .0238 .0343 .0222 .0150 -.0092 .0058 .0016
	OH19 .2618 -.0575 .3844 .0200 .0304 .0169 .0126 .0004 -.0013 -.0024
	OH20 .1238 -.0292 .4585 .0217 .0218 .0214 .0219 -.0044 -.0041 -.0026
	OH21 .0794 .1625 .7270 .0198 .0180 .0307 .0107 -.0072 -.0023 -.0006
	OH22 .0607 .0641 .6568 .0275 .0368 .0269 .0188 .0111 -.0016 .0013
	OH23 .1785 .3596 -.0959 .0159 .0127 .0226 .0124 -.0022 .0047 .0012
	OH24 .3924 .5324 -.0613 .0402 .0382 .0540 .0283 -.0277 -.0015 .0118
	OH25 .2285 .0910 .8895 .0292 .0628 .0112 .0138 .0072 -.0018 .0037
	O26 .2843 .1762 .3864 .0141 .0177 .0116 .0131 .0005 .0000 -.0033
	OH27 .3806 .2530 .4801 .0184 .0128 .0199 .0225 -.0066 -.0001 -.0005
	OH28 .3711 .3609 .2220 .0191 .0144 .0309 .0120 .0007 .0030 .0028
	OH29 .4468 .4495 .1914 .0340 .0395 .0289 .0335 -.0090 .0086 -.0067
	Wat1 .0969 .4621 .1124 .0384 .0333 .0455 .0363 .0108 .0017 .0033
	Wat2 .0436 .2587 .0077 .0321 .0326 .0318 .0317 .0024 .0047 .0057
	Wat3 .3744 .0992 .6358 .0388 .0263 .0322 .0579 .0024 -.0040 .0053
	Wat4 .4277 -.0748 .4868 .0450 .0336 .0582 .0432 .0054 -.0006 .0150
	Wat5 -.1123 .2602 .1514 .0466 .0577 .0335 .0488 .0004 .0317 .0006
	Wat6 .0778 .5732 .2862 .0707 .0515 .1170 .0438 .0134 .0006 -.0224
	Wat7 .392 .1221 .9943 .0751 .0828 .0862 .0562 -.0251 -.0038 -.0005
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Bobjonesite
	Schindler M, Hawthorne F C, Huminicki D M C, Haynes P, Grice J D, Evans H T
	The Canadian Mineralogist 41 (2003) 83-90
	Bobjonesite, VO(SO4)(H2O)3, a new mineral species from Temple Mountain,
	Emery County, Utah, U.S.A.
	Locality: Temple Mountain, Emery County, Utah, USA
	7.3940 7.4111 12.0597 90 106.55 90 P2_1/n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	V .56808 .28298 -.12525 .0148 .0122 .0172 .0153 .0009 .0044 .0047
	S .2291 .3590 -.01264 .0130 .0118 .0120 .0158 .0001 .0047 .0014
	O(1) .4478 .4063 -.2260 .0316 .0245 .0556 .0290 .0137 .0089 .0193
	O(2) .7577 .1028 .0128 .0202 .0165 .0196 .0229 .0023 .0030 -.0043
	O(3) .4416 .0398 -.1696 .026 .0259 .0340 .0219 -.0145 .0122 -.0116
	O(4) .7614 .2042 -.2081 .024 .0167 .0331 .0211 -.0019 .0087 -.0019
	O(5) .7627 .4573 -.0356 .026 .0163 .0170 .0427 -.0022 .0121 -.0075
	O(6) .4230 .3012 -.0086 .018 .0124 .0220 .0210 .0038 .0066 -.0008
	O(7) .1576 .2350 .0596 .021 .0198 .0188 .0220 -.0002 .0102 .0024
	O(8) .1073 .3574 -.1310 .025 .0174 .0378 .0167 -.0015 .0045 .0063
	H(1) .880 .152 .057 .0200
	H(2) .803 -.012 -.009 .0200
	H(3) .354 -.001 -.127 .0200
	H(4) .915 .512 .253 .0200
	H(5) .726 .226 -.2917 .0200
	H(6) .889 .251 -.172 .0200
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Strontioginorite
	Grice J D
	The Canadian Mineralogist 43 (2005) 1019-1026
	Strontioginorite: crystal-structure analysis and hydrogen bonding
	Sample: Penobsquis, Kings County, New Brunswick, Canada
	12.8171 14.4576 12.8008 90 101.327 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sr .61773 .17104 .73631 .01266 .01255 .01385 .01270 .00081 .00518 .00090
	Ca .12691 .21922 .24657 .01271 .0116 .0145 .012 .00047 .00323 -.00020
	B1 .3906 .2019 -.1234 .0116 .0103 .0156 .0097 -.0007 .0034 -.0020
	B2 .4329 .3028 .0508 .0122 .0108 .0158 .0106 -.0015 .0033 -.0014
	B3 .2632 .1964 .0125 .012 .0099 .0156 .0102 -.0011 .0034 -.0016
	B4 .5752 .2547 -.0426 .0134 .0113 .0177 .0116 -.0002 .0028 -.0001
	B5 .3425 .2579 .1940 .0128 .0117 .0161 .0110 .0007 .0030 -.0004
	B6 .3041 .0563 -.0793 .0176 .0180 .0169 .0196 -.0018 .0080 -.0030
	B7 .3909 .3198 .3790 .0110 .0103 .0136 .0092 .0005 .0027 .0003
	B8 .4231 .2027 .5392 .0112 .0108 .0127 .0107 .0000 .0035 -.0002
	B9 .2553 .3107 .5049 .0108 .0091 .0134 .0106 .0004 .0032 -.0002
	B10 .5702 .2545 .4567 .0113 .0100 .0128 .0114 -.0002 .0024 -.0013
	B11 .3357 .2527 .6870 .0116 .0100 .0142 .0108 -.0013 .0027 -.0006
	B12 .2918 .4570 .4154 .0154 .0162 .0146 .0168 .0013 .0063 .0019
	B13 .4098 .0662 .4099 .0143 .0162 .0130 .0148 .0006 .0054 -.0007
	B14 .5245 .0623 .2736 .0159 .0171 .0148 .0172 .0004 .0068 -.0011
	O1 .36670 .23073 -.01619 .0112 .0094 .0149 .0096 -.0016 .0031 -.0021
	O2 .43256 .28843 .16350 .0165 .0130 .0273 .0098 -.0054 .0037 -.0028
	O3 .26259 .21563 .12386 .0150 .0128 .0258 .0102 -.0040 .0044 -.0036
	O4 .25822 .09641 -.00390 .0189 .0224 .0153 .0228 -.0039 .0134 -.0040
	O5 .36394 .10376 -.13751 .0170 .0211 .0150 .0176 -.0033 .0106 -.0038
	O6 .50382 .21244 -.12115 .0149 .0096 .0231 .0125 -.0018 .0034 -.0036
	O7 .54432 .29426 .04367 .0170 .0105 .0266 .0150 -.0032 .0050 -.0070
	Oh8 .2939 -.03712 -.1001 .0324 .0475 .0165 .0433 -.0104 .0331 -.0097
	Oh9 .38786 .39242 .01462 .0226 .0253 .0149 .0249 .0014 -.0014 -.0012
	O10 .17728 .24475 -.05638 .0171 .0098 .0282 .0138 .0014 .0036 .0043
	O11 .32221 .26825 .29316 .0140 .0111 .0217 .0097 -.0021 .0030 -.0025
	O12 .36268 .28403 .48183 .0102 .0085 .0131 .0096 .0010 .0032 .0011
	O13 .41210 .20398 .65046 .0129 .0138 .0155 .0104 .0024 .0050 .0013
	O14 .25872 .30099 .61876 .0136 .0118 .0201 .0096 .0029 .0034 .0012
	O15 .23477 .40711 .47531 .0144 .0141 .0130 .0179 .0022 .0074 .0017
	O16 .36793 .41761 .36912 .0157 .0170 .0138 .0182 .0033 .0084 .0033
	O17 .50387 .30540 .38105 .0124 .0090 .0165 .0120 .0007 .0030 .0019
	O18 .53563 .21339 .53912 .0127 .0098 .0165 .0124 .0010 .0038 .0024
	Oh19 .2709 .5492 .3968 .0285 .0353 .0153 .0426 .0088 .0265 .0092
	O20 .38137 .11539 .49021 .0149 .0161 .0139 .0165 -.0021 .0074 -.0028
	Oh21 .37338 -.02187 .38927 .0218 .0314 .0154 .0231 -.0072 .0165 -.0053
	O22 .47503 .10394 .34641 .0192 .0254 .0137 .0226 -.0034 .0152 -.0036
	Oh23 .5035 -.02604 .2416 .0270 .0324 .0156 .0407 -.0065 .0260 -.0095
	Oh24 .59516 .11733 .23334 .0220 .0278 .0168 .0264 -.0056 .0179 -.0045
	O25 .17299 .25171 .44172 .0130 .0093 .0169 .0133 -.0014 .0035 -.0022
	O26 .32821 .25721 .79196 .0149 .0141 .0218 .0095 .0035 .0037 .0008
	Ow27 .1091 .1503 .7210 .0305 .0364 .0248 .0320 .0029 .0110 -.0023
	Ow28 .1546 .0621 .2712 .0355 .0446 .0242 .0431 .0096 .0218 .0065
	Ow29 .2366 .45021 .84915 .0266 .0282 .0267 .0231 .0037 .0009 -.0003
	Ow30 .0184 .0384 .8665 .0352 .0398 .0318 .0341 .0028 .0075 .0007
	Ow31 .0519 -.0244 .4009 .0363 .0318 .0352 .0432 .0090 .0107 .0071
	H8 .256 -.059 -.071 .05
	H9 .415 .432 .056 .05
	H19 .230 .565 .430 .05
	H21 .338 -.038 .432 .05
	H23 .551 -.045 .208 .05
	H24 .619 .090 .198 .05
	H27A .088 .148 .685 .05
	H27B .123 .136 .774 .05
	H28A .135 .037 .319 .05
	H28B .208 .024 .262 .05
	H29A .284 .422 .897 .05
	H29B .218 .494 .883 .05
	H30A -.030 .012 .815 .05
	H30B -.025 .065 .908 .05
	H31A .022 -.079 .381 .05
	H31B -.006 .015 .392 .05
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Scawtite
	Grice J D
	The Canadian Mineralogist 43 (2005) 1489-1500
	The structure of spurrite, tilleyite and scawtite,
	and relationships to other silicate-carbonate minerals
	Locality: Scawt Hill, near Larne, County Antrim, Ireland
	6.631 15.195 10.121 90 100.59 90 Im
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .20664 .14449 .21917 .0117 .0132 .011 .011 -.0007 .0040 -.0007
	Ca1B .80760 .86435 .79532 .0130 .0142 .0103 .0158 .0003 .0062 -.0002
	Ca2 .49976 .25090 .00167 .0106 .0118 .0100 .0103 .0003 .0032 .0001
	Ca3 .4787 0 -.00451 .0123 .0165 .0099 .0109 0 .0040 0
	Si1 .70664 .10401 .27399 .0083 .0084 .0087 .0078 -.0003 .0015 -.0008
	Si1B .29443 .10419 .72753 .0084 .00824 .0085 .0084 .0002 .0017 .0008
	Si2 -.00006 .32340 .00377 .0088 .0081 .0106 .0079 .0003 .0018 .0005
	C .0032 0 -.0065 .0160 .011 .025 .011 0 .0004 0
	O1 .9013 .3953 .0939 .0156 .0202 .015 .0147 -.0000 .0101 -.0008
	O1B .5857 .1087 .4012 .0163 .0204 .0166 .0149 -.0012 .0112 -.0043
	O2 .1865 .2725 .0951 .0126 .0119 .0127 .0125 .0004 .0003 .0022
	O2B .8196 .7348 .91781 .0126 .0081 .0157 .0126 .00153 -.0013 .0022
	O3 .5344 .8768 .1430 .0122 .0125 .0129 .0096 -.0004 -.0020 .0007
	O3B .4714 .8729 .8538 .0122 .0119 .0119 .0123 .0008 .0007 -.0000
	O4 .5917 .6614 .2004 .0143 .0114 .0138 .0187 .0035 .0053 .0043
	O4B .9100 .8383 .3031 .0143 .0120 .0134 .0178 .0030 .0038 .0038
	O5 .2300 0 .7481 .0141 .0159 .0101 .0182 0 .0086 0
	O5B .7794 0 .2660 .0136 .0125 .0088 .0205 0 .0058 0
	OW6 .2015 0 .3356 .0181 .0151 .0139 .024 0 .0019 0
	OW6B .7931 0 .6479 .0196 .018 .018 .022 0 .0014 0
	O7 .0937 .0725 .0162 .076 .103 .095 .041 -.085 .044 -.047
	O8 .3187 .5 .4332 .0274 .013 .053 .016 0 .0033 0
	H61 .061 0 .333 .07
	H62 .17 0 .424 .22
	H6B1 .719 0 .563 .05
	H6B2 .923 0 .633 .05
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Spurrite
	Grice J D
	The Canadian Mineralogist 43 (2005) 1489-1500
	The structure of spurrite, tilleyite and scawtite,
	and relationships to other silicate-carbonate minerals
	Locality: Cornet Hill, Apuseni Mountains, Romania
	10.484 6.712 14.156 90 101.27 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .14005 .66295 .07182 .0101 .0090 .0065 .0140 .0001 -.0001 -.0014
	Ca2 .03225 .24170 .61152 .0114 .0109 .0121 .0107 -.0050 .0006 .0004
	Ca3 .23999 .05991 .45584 .0092 .0058 .0060 .0159 .0001 .0021 .0002
	Ca4 .04556 .99104 .83065 .0086 .0068 .0067 .0119 .0009 .0009 -.0002
	Ca5 .13164 .50700 .82619 .0084 .0069 .0063 .0116 .0005 .0011 -.0005
	Si1 .13420 .2241 .05667 .0065 .0047 .0044 .0100 -.000 .0005 .0001
	Si2 .02636 .7494 .60459 .0062 .0049 .0043 .0092 .0003 .0005 -.0000
	C .1891 .6990 .2804 .0090 .007 .007 .013 -.0013 .0014 .0002
	O1 .1235 .24165 .9404 .0107 .0133 .0078 .0111 -.0005 .0022 .0001
	O2 .1401 .9973 .0970 .0097 .0093 .0059 .0141 -.0000 .0031 .0010
	O3 .0079 .3372 .0836 .0111 .0093 .0094 .0152 .0027 .0035 -.0008
	O4 .2671 .3326 .1078 .0142 .0079 .0118 .0208 -.0043 -.0019 .0007
	O5 .8843 .1530 .4662 .0106 .0068 .0108 .0143 -.0002 .0024 .0031
	O6 .8907 .4305 .3346 .0105 .0102 .0074 .0132 .0017 .0008 .0028
	O7 .0227 .0774 .3300 .0109 .0111 .0074 .0142 .0012 .0025 -.0024
	O8 .1006 .3383 .4690 .0101 .0067 .0102 .0130 -.0011 .0010 -.0020
	O9 .2858 .6966 .2354 .0111 .0082 .0104 .0149 -.0001 .0030 -.0002
	O10 .0713 .6899 .2304 .0113 .0062 .0110 .0154 -.0003 -.0012 .0005
	O11 .2088 .7183 .3710 .0135 .0141 .0137 .0127 .0002 .0023 -.0006
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tilleyite
	Grice J D
	The Canadian Mineralogist 43 (2005) 1489-1500
	The structure of spurrite, tilleyite and scawtite,
	and relationships to other silicate-carbonate minerals
	Locality: Cornet Hill, Apuseni Mountains, Romania
	15.082 10.236 7.572 90 105.17 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .00343 .99395 .75024 .00896 .0096 .0096 .0084 -.0021 .0037 -.0012
	Ca2 .17682 .21349 .09115 .00912 .0099 .0100 .0077 .0018 .0027 .0008
	Ca3 .18116 .20649 .60855 .00882 .0100 .0080 .0087 .0010 .0029 -.0002
	Ca4 .12417 .58934 .04534 .00810 .0090 .0082 .0076 .0003 .0031 -.0005
	Ca5 .13621 .57880 .55926 .00905 .0108 .0076 .0092 -.0013 .0035 -.0004
	Si1 .20174 .92086 .13855 .00603 .0077 .0053 .0058 .0003 .0031 .0000
	Si2 .20390 .91414 .56867 .00603 .0077 .0054 .0057 .0003 .0031 .0001
	C1 .0301 .3088 .3388 .0093 .0105 .0091 .0098 .0001 .0055 .0023
	C2 .0220 .3027 .8176 .0094 .0119 .0079 .0103 .0004 .0064 .00134
	O1 .07397 .2081 .29945 .0117 .0139 .0083 .0144 .0013 .0066 -.00059
	O2 .07153 .2047 .7882 .0104 .0119 .0082 .0121 .0015 .0049 -.0007
	O3 .06991 .3767 .4799 .0150 .0210 .0092 .0146 -.0021 .0044 -.0025
	O4 .05589 .3760 -.0424 .0143 .0194 .0099 .0137 -.0002 .0046 -.0033
	O5 .05021 .6655 .7530 .0191 .0115 .0340 .0117 .0076 .0030 .0049
	O6 .05884 .6805 .2792 .0159 .0106 .0249 .0122 .0056 .0030 .0012
	O7 .22519 .7744 .0876 .0100 .0122 .0069 .0121 -.0002 .0054 -.0019
	O8 .22688 .7642 .6289 .0108 .0118 .0073 .0126 -.0004 .0019 .0023
	O9 .09944 .9761 .0560 .0123 .0115 .0149 .0106 .0036 .0032 .0005
	O10 .10274 .9720 .5534 .0115 .0106 .0132 .0118 .0028 .0045 -.0000
	O11 .22507 .5306 .8846 .0109 .0127 .0078 .0145 .0019 .0076 -.0009
	O12 .22205 .5210 .3213 .0112 .0114 .0096 .0123 .0017 .0024 .0030
	O13 .22538 .9174 .3651 .0132 .0157 .0185 .0063 .0008 .0045 .0000
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Oxykinoshitalite
	Kogarko L N, Uvarova Y A, Sokolova E, Hawthorne F C, Ottolini L, Grice J D
	The Canadian Mineralogist 43 (2005) 1501-1510
	Oxykinoshitalite, a new species of mica from Fernando-do-Noronha island, Brazil:
	Occurrence and crystal structure
	Locality: Fernando-do-Noronha island, Brazil
	5.3516 9.2817 10.0475 90 100.337 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)
	BaI 0 0 0 .47 .0229 .0197 .0205 .0285 0 .0046 0
	KI 0 0 0 .42 .0229 .0197 .0205 .0285 0 .0046 0
	NaI 0 0 0 .06 .0229 .0197 .0205 .0285 0 .0046 0
	CaI 0 0 0 .01 .0229 .0197 .0205 .0285 0 .0046 0
	MgM1 0 .5 .5 .52 .0102 .0082 .0065 .0167 0 .0043 0
	Fe2+M1 0 .5 .5 .13 .0102 .0082 .0065 .0167 0 .0043 0
	Fe3+M1 0 .5 .5 .27 .0102 .0082 .0065 .0167 0 .0043 0
	Ti4+M1 0 .5 .5 .08 .0102 .0082 .0065 .0167 0 .0043 0
	MgM2 0 .15509 .5 .42 .0127 .0067 .0175 .0139 0 .0014 0
	Ti4+M2 0 .15509 .5 .335 .0127 .0067 .0175 .0139 0 .0014 0
	Fe3+M2 0 .15509 .5 .165 .0127 .0067 .0175 .0139 0 .0014 0
	Fe2+M2 0 .15509 .5 .075 .0127 .0067 .0175 .0139 0 .0014 0
	MnM2 0 .15509 .5 .005 .0127 .0067 .0175 .0139 0 .0014 0
	SiT .5736 .16750 .22032 .578 .0111 .0083 .0106 .0145 -.0005 .0024 .0001
	AlT .5736 .16750 .22032 .39 .0111 .0083 .0106 .0145 -.0005 .0024 .0001
	O1 .8179 .2354 .1586 .0227 .0192 .0287 .0210 -.0075 .0060 -.0030
	O2 .6314 .1709 .3903 .0135 .0120 .0107 .0180 -.0007 .0031 .0007
	O3 .5223 0 .1603 .0202 .029 .0163 .013 0 -.0012 0
	O4 .1257 0 .3964 .72 .0160 .0093 .023 .016 0 .0031 0
	OH4 .1257 0 .3964 .155 .0160 .0093 .023 .016 0 .0031 0
	F4 .1257 0 .3964 .125 .0160 .0093 .023 .016 0 .0031 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Qaqarssukite-(Ce)
	Grice J D, Gault R A, Rowe R, Johnsen O
	The Canadian Mineralogist 44 (2006) 1137-1146
	Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from
	Qaqarssuk, Greenland
	Locality: Qaqarssuk, Greenland
	7.242 7.242 18.192 90 90 120 P-3c1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ce .3483 0 .25 .0150 .014 .014 .017 .0070 -.012 -.002
	Ba1 0 0 0 .013 .010 .010 .019 .0053 0 0
	Ba2 2/3 1/3 .0561 .0152 .015 .015 .016 .0074 0 0
	C .135 -.218 .113 .014 .01 .01 .03 .004 .001 .004
	O1 .242 -.005 .116 .021 .03 .011 .021 .008 .008 .003
	O2 .071 -.310 .049 .024 .02 .02 .04 .019 -.004 -.002
	O3 .590 -.094 .175 .023 .02 .02 .04 .016 .009 .011
	F1 2/3 1/3 .704 .020 .018 .018 .02 .009 0 0
	F2 0 0 .25 .06 .04 .04 .09 .02 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tundrite-(Ce)
	Grice J D, Rowe R, Poirier G, Wight Q
	The Canadian Mineralogist 46 (2008) 413-422
	Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure
	analysis and species characterization
	Locality: Mount Saint-Hilaire, Quebec, Canada
	7.5760 13.9252 5.0290 99.981 70.791 100.947 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)
	Ce1 .6573 .7797 .5952 .00968 .0104 .0119 .0077 .00036 -.00438 .00224
	Ce2 .2195 .77840 .3119 .030 .01052 .0112 .0142 .0062 .00402 -.00127 .00148
	La2 .2195 .77840 .3119 .621 .01052 .0112 .0142 .0062 .00402 -.00127 .00148
	Nd2 .2195 .77840 .3119 .229 .01052 .0112 .0142 .0062 .00402 -.00127 .00148
	Pr2 .2195 .77840 .3119 .081 .01052 .0112 .0142 .0062 .00402 -.00127 .00148
	Sm2 .2195 .77840 .3119 .014 .01052 .0112 .0142 .0062 .00402 -.00127 .00148
	Na1 0 0 1/2 .0212 .039 .012 .014 .001 .011 -.0022
	Na2 .1375 .4719 .1759 .906 .0299 .030 .032 .027 .0068 -.0083 -.0001
	Ca2 .1375 .4719 .1759 .039 .0299 .030 .032 .027 .0068 -.0083 -.0001
	Na3 1/2 1/2 1/2 .0286 .049 .019 .014 -.010 -.012 .003
	Ti .60840 .99963 .1957 .875 .0120 .0130 .0133 .0097 .0020 -.0037 .0008
	Nb .60840 .99963 .1957 .109 .0120 .0130 .0133 .0097 .0020 -.0037 .0008
	Si .9622 .85797 .9129 .0085 .0096 .0114 .0051 .0018 -.0029 .0008
	C1 .7921 .3546 .2374 .0136 .015 .014 .013 .005 -.004 .001
	C2 .6011 .652 .0601 .0125 .010 .016 .010 .001 -.001 .003
	O1 .9339 .7555 .7084 .0097 .009 .011 .009 .0013 -.0034 .0012
	O2 .7939 .9173 .9117 .0109 .012 .014 .007 .004 -.003 -.0007
	O3 .1629 .9161 .7260 .0107 .009 .013 .009 -.0002 -.0030 .0021
	O4 .9575 .8437 .2269 .0115 .013 .015 .007 .003 -.0026 .0030
	O5 .4070 .9179 .0663 .0110 .012 .012 .008 .000 -.0040 .0022
	O6 .5507 .9191 .4970 .0115 .015 .011 .007 .005 -.001 .0025
	O7 .8718 .3811 .9889 .0212 .027 .019 .017 -.002 -.007 .009
	O8 .8080 .4068 .4629 .0265 .025 .028 .021 -.001 -.009 -.010
	O9 .3328 .3774 .7677 .0178 .028 .016 .013 .003 -.009 .004
	O10 .4023 .3939 .1762 .0195 .026 .020 .014 .003 -.011 -.003
	O11 .3072 .7334 .7463 .0143 .014 .017 .012 -.001 -.006 .003
	O12 .5462 .7392 .1337 .0130 .014 .014 .011 .004 -.003 .000
	OH13 .779 .781 .033 .11 .03
	H5 .27 .90 .19 .07 .03
	H6 .53 .86 .65 .07 .03
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Szaibelyite
	Grice J D
	The Canadian Mineralogist 46 (2008) 671-677
	Szaibelyite: Crystal structure analysis and hydrogen bonding
	Locality: Penobsquis, Kings County, New Brunswick, Canada
	12.586 10.415 3.1340 90 95.923 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 .50433 .13724 .2348 .00791 .0074 .0071 .0092 .0002 .0006 -00001
	Mg2 .41242 .42083 .7103 .00806 .0073 .0078 .0090 .0005 .0007 .0004
	B1 .13788 .1681 .7590 .0079 .0077 .0083 .0073 .0006 .0007 .0005
	B2 .30629 .0479 .6212 .0085 .0085 .0078 .0093 -.0008 .0013 .0012
	O1 .07618 .06199 .7800 .0087 .0077 .0076 .0108 -00004 .0013 -00000
	O2 .10053 .29133 .7743 .0089 .0084 .0067 .0116 .0005 .0013 .0000
	O3 .24772 .15513 .7185 .0104 .0070 .0074 .0171 -00001 .0027 -.0015
	O4 .24785 .44956 .6062 .0108 .0075 .0093 .0152 -.0004 .0003 .0036
	O5 .41400 .04335 .7182 .0086 .0065 .0080 .0113 .0007 .0004 -.0004
	O6 .40869 .29482 .2074 .0090 .0073 .0082 .0114 -00005 .0009 -.0000
	H4 .197 .387 .679 .042
	H6 .348 .266 .154 .028
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure

Download in: Amc Format Cif Format Diffraction data