American Mineralogist Crystal Structure Database

19 matching records for this search.

Fluorapophyllite-(K)
Download hom/fluorapophyllitek.pdf
Chao G Y
Download am/vol56/AM56_1234.pdf
American Mineralogist 56 (1971) 1234-1242
The refinement of the crystal structure of apophyllite II. Determination of the
hydrogen positions by X-ray diffraction
Note: O1-B23 changed to match symmetry constraints
Locality: Mont. St. Hilaire, Quebec, Canada
_database_code_amcsd 0000256
8.965 8.965 15.767 90 90 90 P4/mnc
atom     x     y     z  Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5       .007615 .007615 .004376        0        0        0
Ca   .1094 .2466     0       .002773 .003202 .000976  .000045        0        0
Si   .2256 .0865 .1900       .002285 .002039 .000959  .000033 -.000059 -.000011
O1   .3631 .1369   .25       .003936 .003936 .001327 -.000631 -.000275 -.000275
O2   .0846 .1891 .2178       .003412 .004489 .001965  .001246 -.000653 -.000617
O3   .2636 .1026 .0923       .005001 .004314 .001135  .000055 -.000582 -.000307
F        0     0     0       .002674 .002674 .002580        0        0        0
O4   .2131 .4491 .0898       .008905 .004494 .001449  .000088 -.000202 -.000670
H1   .4515 .1770 .0775  3.49
H2   .2362 .4706 .1198 13.54
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Carletonite
Download hom/carletonite.pdf
Chao G Y
Download am/vol57/AM57_765.pdf
American Mineralogist 57 (1972) 765-778
The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O,
a double-sheet silicate
_database_code_amcsd 0000287
13.178 13.178 16.695 90 90 90 P4/mbm
atom      x     y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si1   .0731 .2644 .4077 .965 .00102 .00124 .00080 -.00028 -.00012 -.00022
Si2   .2162 .1189 .3077 .972 .00114 .00105 .00085  .00021 -.00004  .00011
Al2   .2162 .1189 .3077 .028 .00114 .00105 .00085  .00021 -.00004  .00011
Ca    .0604 .1773 .1416 .940 .00098 .00096 .00073 -.00002 -.00002  .00000
K        .5     0 .2962 .882 .00291 .00291 .00227       0       0       0
Na1       0     0 .2754 .923 .00138 .00138 .00153       0       0       0
Na2   .1399 .6399 .1424 .905 .00247 .00247 .00179 -.00256 -.00130  .00130
Na3   .2227 .2773     0 .925 .00221 .00221 .00081 -.00131       0       0
C1    .2127 .0572     0      .00153 .00171 .00116  .00038       0       0
C2    .1197 .3803 .1674      .00257 .00257 .00180 -.00015  .00017 -.00017
O1    .1475 .1807 .3722      .00322 .00298 .00183  .00032  .00028 -.00086
O2    .2718 .0308 .3559      .00246 .00207 .00156  .00002 -.00049  .00013
O3    .1517 .0783 .2357      .00158 .00170 .00138 -.00008 -.00012 -.00008
O4    .3072 .1928 .2776      .00216 .00216 .00122 -.00009 -.00060  .00060
O5    .1251 .3749 .4020      .00234 .00234 .00177 -.00063  .00002 -.00002
O6    .0509 .2358    .5      .00275 .00236 .00162 -.00069       0       0
O7    .2110 .1046 .0674 .970 .00216 .00166 .00098  .00040  .00001 -.00007
O8    .1834 .3166 .1360 .984 .00175 .00175 .00172 -.00091  .00070 -.00070
O9    .0389 .2146     0 .969 .00154 .00449 .00086  .00045       0       0
O10   .0306 .3497 .1825 .913 .00146 .00136 .00201 -.00020  .00052 -.00071
Wat11     0     0 .4157 .791 .00596 .00596 .00298       0       0       0
Wat12 .4452 .0548     0 .554 .01242 .01242 .00949 -.00953       0       0
OH13      0     0 .1179  .59 .00164 .00164 .00149       0       0       0
F13       0     0 .1179  .41 .00164 .00164 .00149       0       0       0
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Reederite-(Y)
Download hom/reederitey.pdf
Grice J D, Gault R A, Chao G Y
Download am/vol80/AM80_1059.pdf
American Mineralogist 80 (1995) 1059-1064
Reederite -(Y), a new sodium rare-earth mineral with a unique fluorosulfate
anion
_database_code_amcsd 0001759
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
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Lukechangite-(Ce)
Download hom/lukechangitece.pdf
Grice J D, Chao G Y
Download am/vol82/AM82_1255.pdf
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.
_database_code_amcsd 0001952
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
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
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Petarasite
Download hom/petarasite.pdf
Ghose S, Wan C, Chao G Y
Download cm/vol18/CM18_503.pdf
The Canadian Mineralogist 18 (1980) 503-509
Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate
_database_code_amcsd 0005181
10.7956 14.4928 6.6229 90 113.214 90 P2_1/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)
Na1  .53703 .11999  .94377          .010387 .003202 .021256  .002069 .007824  .002806
Na2  .96816 .11801  .04734          .010159 .002535 .015116 -.001565 .004223 -.000992
Na3  .75350    .25  .53730  .8      .006044 .000833 .010932  .000000 .009480  .000000
Ca3  .75350    .25  .53730  .2      .006044 .000833 .010932  .000000 .009480  .000000
Zr   .75341 .01483  .50974          .001575 .000179 .002632 -.000035 .001449 -.000085
Si1  .04177 .14185  .59651          .001803 .000214 .003509  .000087 .001283  .000028
Si2  .25281 .05076  .99330          .002006 .000595 .002429  .000070 .000952 -.000057
Si3  .46055 .14000  .39881          .001549 .000262 .004791 -.000122 .001449 -.000142
O1   .05903    .25  .54621          .003860 .000512 .010864  .000000 .004057  .000000
O2   .89046 .12341  .57443          .002667 .000869 .015453 -.000348 .003850 -.000879
O3   .09220 .07970  .44176          .003073 .000678 .004994  .000817 .002111  .000482
O4   .13872 .12679  .85457          .006883 .001785 .004859  .002486 .001863  .000255
O5   .80161 .00514  .84919          .003962 .001524 .004049 -.001008 .002235 -.000397
O6   .70604 .01230  .17083          .004267 .001345 .004454  .000765 .002856  .000000
O7   .38504 .11045  .14028          .005410 .001892 .005398 -.000052 .002360 -.000765
O8   .61709 .12247  .46523          .002083 .000726 .015183  .000452 .003022  .000170
O9   .43210    .25  .41461          .003098 .000690 .015385  .000000 .002815  .000000
O10  .39821 .08351  .54458          .003302 .000833 .007220 -.001008 .002898 -.000453
Wat1 .10237    .25  .16018          .014603 .003107 .026587  .000000 .012751  .000000
Wat2 .39241    .25  .82389          .010133 .001726 .019097  .000000 .008735  .000000
Cl   .75124    .25  .00521 .75      .008940 .002107 .029354  .000000 .006789  .000000
OH1  .86880    .25 -.02220 .25 2.34
OH2  .70151    .25  .11946 .12 1.98
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Ekanite
Download hom/ekanite.pdf
Szymanski J T, Owens D R, Roberts A C, Ansell H G, Chao G Y
Download cm/vol20/CM20_65.pdf
The Canadian Mineralogist 20 (1982) 65-75
A mineralogical study and crystal-structure determination of
nonmetamict ekanite, ThCa2Si8O20
Note: Changed O2-x coordinate to match reported bond lengths
_database_code_amcsd 0005184
7.483 7.483 14.893 90 90 90 I422
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Th       0     0     0 .95  .0103  .0103  .0143      0      0      0
U        0     0     0 .05  .0103  .0103  .0143      0      0      0
Ca      .5     0     0 .96  .0158  .0293  .0267      0      0      0
Fe      .5     0     0 .03  .0158  .0293  .0267      0      0      0
Mn      .5     0     0 .01  .0158  .0293  .0267      0      0      0
Si   .3335 .2540 .1479      .0160  .0147  .0220 -.0005 -.0007 -.0015
O1   .2544 .4521 .1251      .0262  .0126  .0523  .0025 -.0013  .0028
O2   .2124 .7124   .25      .0606  .0606  .0207  .0127  .0069  .0069
O3   .2553 .1075 .0818      .0230  .0279  .0291 -.0025 -.0070 -.0081
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Gaidonnayite
Download hom/gaidonnayite.pdf
Chao G Y
Download cm/vol23/CM23_11.pdf
The Canadian Mineralogist 23 (1985) 11-15
The crystal structure of gaidonnayite Na2ZrSi3O9.2H2O
Locality:  Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0005201
11.740 12.820 6.691 90 90 90 P2_1nb
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1   .7466 .1567 .4307  .0051  .0045  .0162  .0007 -.0019 -.0005
Na2  -.0041 .3876 .3316  .0047  .0037  .0180  .0006 -.0010 -.0049
Zr    .2500 .0531 .1510  .0024  .0015  .0063  .0000 -.0004  .0000
Si1   .2809 .2883 .3927  .0021  .0007  .0059 -.0001 -.0004  .0000
Si2   .4981 .4180 .3911  .0020  .0015  .0058 -.0001 -.0005 -.0001
Si3   .7144 .3918 .1501  .0020  .0015  .0051  .0001  .0004 -.0008
O1    .2116 .3952 .3644  .0025  .0008  .0090  .0007 -.0003 -.0021
O2    .4173 .3155 .4186  .0022  .0009  .0103 -.0012 -.0016  .0015
O3    .7417 .2699 .1017  .0029  .0014  .0056  .0018  .0021  .0012
O4    .2654 .2096 .2065  .0039  .0017  .0078 -.0018  .0036  .0003
O5    .4225 .0194 .1562  .0023  .0014  .0107  .0012 -.0016 -.0023
O6    .5759 .3940 .1960  .0022  .0035  .0060 -.0001  .0010 -.0029
O7    .0743 .0706 .0898  .0015  .0023  .0067  .0002 -.0005 -.0003
O8    .2398 .0361 .4583  .0027  .0012  .0006  .0003  .0011 -.0006
O9    .7817 .4258 .3474  .0031  .0019  .0047 -.0011 -.0020 -.0018
Wat1  .5397 .1326 .4739  .0048  .0032  .0186  .0011 -.0030 -.0032
Wat2  .9558 .1991 .3821  .0060  .0035  .0118  .0026 -.0018  .0023
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Abenakiite-(Ce)
 
McDonald A M, Chao G Y, Grice J D
Download cm/vol32/CM32_843.pdf
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
_database_code_amcsd 0005409
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
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Phosinaite-(Ce)
Download hom/phosinaitece.pdf
McDonald A M, Chao G Y
Download cm/vol34/CM34_107.pdf
The Canadian Mineralogist 34 (1996) 107-114
Phosinaite-(Ce) from Mont Saint-Hilaire, Quebec: New data and structure refinement
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005482
12.297 14.660 7.245 90 90 90 P22_12_1
atom         x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1      .3220 .8891 .3098      .0204  .0115  .0191  .0014 -.0036 -.0008
Si2      .3646 .9111 .7449      .0136  .0118  .0152  .0009  .0005  .0001
P1       .9736 .1255 .2295      .0138  .0198  .0229 -.0021 -.0001 -.0037
P2       .3064 .6183 .7658      .0124  .0129  .0139 -.0014 -.0004  .0001
Na1      .1829 .7588 .5440      .0376  .0370  .0410  .0129  .0018  .0080
Na2      .0030 .3491 .2237      .0306  .0637  .0371  .0028  .0011  .0001
Na3      .1714    .5    .5      .0198  .0566  .0339      0      0      0
Na4      .1604    .5     0      .0278  .0390  .0393      0      0      0
Na5      .8772    .5     0      .0331  .0492  .0280      0      0      0
Na6      .4504    .5     0      .0258  .0296  .0289      0      0      0
Na7      .3307 .6398 .2635      .0181  .0143  .0228 -.0023  .0021 -.0001
Na8      .4561    .5    .5      .0306  .0394  .0247      0      0  .0014
Na9      .1902 .7662 .0240 .86  .0481  .0203  .0222 -.0020  .0007 -.0015
Ca9      .1902 .7662 .0240 .07  .0481  .0203  .0222 -.0020  .0007 -.0015
Ca10     .4971 .7500 .5210 .92  .0181  .0166  .0224 -.0045 -.0003 -.0032
Mn10     .4971 .7500 .5210 .08  .0181  .0166  .0224 -.0045 -.0003 -.0032
Ce      .13955     0     0 .49  .0120  .0130  .0118      0      0      0
La      .13955     0     0 .32  .0120  .0130  .0118      0      0      0
Th      .13955     0     0 .09  .0120  .0130  .0118      0      0      0
Nd      .13955     0     0 .07  .0120  .0130  .0118      0      0      0
Pr      .13955     0     0 .02  .0120  .0130  .0118      0      0      0
O1       .6492 .8390 .0896      .0275  .0305  .0186 -.0049 -.0011 -.0037
O2       .8124 .1480 .7076      .0176  .0258  .0392 -.0042  .0055  .0014
O3       .6873 .0144 .7513      .0318  .0100  .0284 -.0007 -.0045  .0021
O4       .3741 .7976 .2360      .0304  .0132  .0445  .0020  .0104 -.0040
O5       .1442 .3424 .7200      .0168  .0481  .0433  .0078 -.0006 -.0016
O6       .9812 .9808 .7585      .0418  .0322  .0534 -.0008 -.0122  .0086
O7       .3720 .3522 .0636      .0361  .0268  .0167  .0132  .0039 -.0029
O8       .0335 .1476 .0487      .0362  .0335  .0343  .0086  .0074  .0090
O9       .1963 .9039 .2614      .0154  .0277  .0322  .0020  .0007  .0023
O10      .4728 .8576 .7912      .0149  .0207  .0506  .0039 -.0007  .0055
O11      .3962 .9789 .2514      .0216  .0132  .0392 -.0006  .0062 -.0001
O12      .6704 .6152 .0359      .1335  .0338  .0214 -.0091  .0271 -.0010
O13      .2610 .1058 .1330      .0366  .0255  .0582 -.0036 -.0258  .0094
O14      .9712 .3363 .8987      .0424  .0895  .0476 -.0192  .0053  .0348
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Horvathite-(Y)
Download hom/horvathitey.pdf
Grice J D, Chao G Y
Download cm/vol35/CM35_743.pdf
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
_database_code_amcsd 0005523
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
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Wurtzite-4H
 
Chao G Y, Gault R A
Download cm/vol36/CM36_775.pdf
The Canadian Mineralogist 36 (1998) 775-778
The occurence of two rare polytypes of wurtzite, 4H and 8H,
at Mont Saint-Hilaire, Quebec
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005544
3.8227 3.8227 12.52 90 90 120 P6_3mc
atom   x   y     z
Zn1    0   0     0
Zn2  1/3 2/3   .25
S1     0   0 .1875
S2   1/3 2/3 .4375
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Yoshimuraite
Download hom/yoshimuraite.pdf
McDonald A M, Grice J D, Chao G Y
Download cm/vol38/CM38_649.pdf
The Canadian Mineralogist 38 (2000) 649-656
The crystal structure of yoshimuraite, a layered Ba-Mn-Ti silicophosphate,
with comments on five-coordinated Ti
_database_code_amcsd 0005651
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
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Natrolemoynite
 
McDonald A M, Chao G Y
Download cm/vol39/CM39_1295.pdf
The Canadian Mineralogist 39 (2001) 1295-1306
Natrolemoynite, a new hydrated sodiium zirconosilicate from Mont Saint-Hilaire,
Quebec: Description and structure determination
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005740
10.5150 16.2534 9.1029 90 105.462 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)
Na1        0  .3926     1/2 .44 .0072  .0054  .0044  .0107      0  .0004      0
K1         0  .3926     1/2 .05 .0072  .0054  .0044  .0107      0  .0004      0
Ca1        0  .3926     1/2 .01 .0072  .0054  .0044  .0107      0  .0004      0
Na2    .1801  .4296   .6210  .5 .0074  .0108  .0055  .0063  .0017  .0028 -.0016
Zr       1/4    1/4     1/2 .94 .0012  .0008  .0012  .0015  .0000  .0001  .0005
Nb       1/4    1/4     1/2 .04 .0012  .0008  .0012  .0015  .0000  .0001  .0005
Ti       1/4    1/4     1/2 .02 .0012  .0008  .0012  .0015  .0000  .0001  .0005
Si1   .26452 .09667 -.25035     .0009  .0008  .0006  .0011  .0000  .0001  .0000
Si2   .06154 .22752  .74688     .0012  .0009  .0011  .0015  .0003  .0002 -.0001
Si3      1/2 .16734       0     .0010  .0008  .0009  .0011      0 -.0001      0
O1     .1433  .1411  -.2017     .0017  .0015  .0013  .0024  .0002  .0001  .0002
O2     .1316  .2790   .6402     .0017  .0016  .0013  .0024  .0002  .0007  .0002
O3     .2294      0  -.2612     .0016  .0016  .0006  .0022      0  .0000      0
O4     .3969  .1072  -.1125     .0020  .0015  .0016  .0022 -.0002 -.0004 -.0005
O5     .0781  .2761   .9082     .0022  .0024  .0022  .0020  .0006  .0004 -.0007
O6     .2827  .1318  -.4070     .0020  .0026  .0016  .0019  .0006  .0010  .0008
O7     .0907  .2073   .3293     .0022  .0010  .0029  .0024  .0000  .0000 -.0003
Wat8   .0973      0  -.6174     .0076  .0082  .0088 .04343      0  .0011      0
Wat9   .1717  .1093   .1215     .0085  .0092  .0116  .0052  .0055  .0028   .007
Wat10  .0115      0  -.1214     .0094  .0066  .0154  .0068      0  .0032      0
Wat11  .1003    1/2  .75563 .56 .0100
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Haineaultite
 
McDonald A M, Chao G Y
Download cm/vol42/CM42_769.pdf
The Canadian Mineralogist 42 (2004) 769-780
Haineaultite, a new hydrated sodium calcium titanosilicate from
Mont Saint-Hilaire, Quebec: Description, structure determination and genetic implications
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005938
7.204 23.155 6.953 90 90 90 C222
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na    -.002  .1378 .2853  .63  .028   .005   .024   .054   .014  -.012  -.016
Ca      .25    .25 -.011 .125  .035   .039   .053   .018   .016      0      0
Ti1     .75    .75 .4982  .40 .0140  .0220  .0127  .0101  .0088      0      0
Nb1     .75    .75 .4982  .10 .0140  .0220  .0127  .0101  .0088      0      0
Ti2       0      0    .5 .125  .034   .014   .009   .090      0      0      0
Si1   .0013 .33863 .2296      .0105  .0135  .0119  .0068   .000  -.001  .0001
Si2   .0961 .43539  .495  .50 .0122   .012  .0079   .017 -.0013   .006  -.002
O1     .186  .3064  .304       .025   .005   .044   .027   .008   .001   .016
O2     .014  .4044 .3103       .026   .046   .014   .019  -.009   .003  -.007
O3        0  .3459     0  .50  .028   .050   .028   .008      0   .010      0
O4        0     .5    .5  .25  .021   .026   .006   .031      0      0      0
O5    -.185  .3061  .291       .028   .024   .023   .039  -.002  -.005   .028
O6       .5  .7197    .5  .50 .0150   .008   .014   .023      0  -.007      0
OH7       0  .1993     0  .50  .084   .124   .069   .061      0   -.02      0
OH8    .316  .4372  .471  .50  .033   .013   .018    .06  -.002   .004  -.006
Wat9  -.069     .5     0  .50   .21    .28    .22    .14      0      0    .13
Wat10     0      0  .218  .12   .03    .03    .02    .06    .02      0      0
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Bobtraillite
 
McDonald A M, Chao G Y
Download cm/vol43/CM43_747.pdf
The Canadian Mineralogist 43 (2005) 747-758
Bobtraillite, (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12*12H2O,
a new mineral species from Mont Saint-Hilaire, Quebec: description,
structure determination and relationship to benitoite and wadeite
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006016
19.720 19.720 9.9788 90 90 120 P-3c1
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nal   .7823  .8913  .9997 .837  .028   .024   .027   .031   .012   .002   .013
Na2   .6719  .6718  .4947  .24  .048   .037   .034   .050   .001   .021   .025
Sr   .43604 .56401 .50000 .916 .0140  .0126  .0124  .0152  .0049 -.0012 -.0010
Zr1  .56592 .78293 .50000      .0088  .0100  .0096  .0068  .0050  .0001  .0001
Zr2       0      0     .5      .0066  .0076  .0076  .0045  .0038      0      0
Si1   .8702      0    .75      .0118  .0108   .013   .012  .0067  .0001  .0002
Si2  .69223 .91164  .7501      .0123  .0094  .0128  .0126  .0040  .0002  .0005
Si3  .56438 .65133  .7500      .0106  .0117  .0116  .0113  .0079 -.0008 -.0005
Si4  .42971 .74333  .7500      .0095  .0089  .0104  .0104  .0058  .0003  .0002
B     .4798  .4798    .75       .015   .018   .018   .010   .009  -.001   .001
O1    .4776  .7846  .6164      .0156   .018   .016   .014   .009   .006   .003
O2    .4779  .6932  .3824      .0150   .015   .016   .013   .007  -.006  -.006
O3    .6517  .8683  .6164       .026   .032   .030   .015   .016  -.009  -.008
O4    .7809  .9237  .7497      .0216   .011   .009   .041   .002   .001   .003
O5    .9999  .0885  .3860       .026   .026   .025   .027   .012   .001   .008
O6    .5585  .8674  .3870      .0158   .017   .021   .011   .011  -.001   .004
O7    .5584  .6911  .6141      .0143   .015   .015   .011   .006   .001   .003
O8    .6516  .7836  .3843       .026   .036   .028   .015   .016   .010   .001
O9    .4893  .5618  .7498      .0146   .010   .010   .020   .003  -.001  -.001
O10   .4005  .6492  .7498      .0119   .003   .003   .027  -.001  -.001   .001
O11   .6423  .6423    .75       .013   .013   .013   .017   .009   .001  -.001
O12   .7028      0    .75       .020   .009   .010   .041   .005  -.002  -.040
OH13  .4418  .4418  .6216       .025   .026   .027   .024   .015  -.006  -.007
Wat14 .7762  .9998  .0907       .058   .058   .049   .061   .023   .015   .000
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Martinite
 
McDonald A M, Chao G Y
Download cm/vol45/CM45_1281.pdf
The Canadian Mineralogist 45 (2007) 1281-1292
Martinite, a new hydrated sodium calcium fluorborosilicate species from Mont
Saint-Hilaire, Quebec: description, structure determination and genetic implications
Note: changed F(y) to match reported bond distances
Locality: Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada
_database_code_amcsd 0006158
9.5437 9.5349 14.0268 108.943 74.154 119.780 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)
Na1      .5    .5     .5     .0128   .013   .010   .017   .006  -.003   .003
Na2   .1472 .9626  .9138 .86  .055   .030   .057   .027  -.014  -.006   .002
Na3   .3646 .1039  .0907 .81  .062   .044   .143   .027   .064   .012   .030
Na4   .7988 .5957  .2424     .0247   .021   .019   .035  .0071 -.0064  .0073
Na5   .2217 .0794  .4938 .51 .0137  .0123  .0095  .0192  .0039 -.0038  .0033
Ca5   .2217 .0794  .4938 .49 .0137  .0123  .0095  .0192  .0039 -.0038  .0033
Na6a  .5980 .4280  .9084 .34  .039   .065   .029   .022   .027   .002   .004
Na6b  .5993 .4843  .9772 .45  .095   .120   .052   .106   .014  -.041   .003
Ca1   .9210 .6498 .51495     .0125  .0098  .0082  .0174  .0023 -.0023  .0028
Ca2   .3542 .7881 .49742 .80 .0120  .0086  .0101  .0170  .0031  .0019  .0046
Na    .3542 .7881 .49742 .20 .0120  .0086  .0101  .0170  .0031  .0019  .0046
Si1   .4544 .7607  .7078     .0114  .0087  .0095  .0174  .0041 -.0031  .0035
Si2   .5898 .5189  .7142     .0111  .0095  .0073  .0161  .0027 -.0025  .0034
Si3   .9664 .0103  .7118     .0121  .0093  .0078  .0184  .0020 -.0032  .0039
Si4   .6572 .8555  .2880     .0114  .0087  .0072  .0173  .0016 -.0026  .0041
Si5   .1576 .7450  .2969     .0117  .0090  .0075  .0186  .0026 -.0031  .0037
Si6   .0822 .6296  .7061     .0111  .0087  .0068  .0167  .0018 -.0024  .0037
Si7   .5249 .1030  .8299 .58 .0114  .0074  .0073  .0201  .0019 -.0026  .0056
B7    .5249 .1030  .8299 .42 .0114  .0074  .0073  .0201  .0019 -.0026  .0056
B     .8556 .7646  .8274      .014   .008   .006   .029   .003  -.001   .006
F     .7650 .6626  .4225     .0225   .024   .021   .022   .009  -.005   .003
O1    .0998 .6189  .5878     .0187   .013   .021   .019   .003  -.002   .009
O2    .1730 .8013  .4153     .0190   .020   .016   .021   .008  -.007   .001
O3    .3896 .0674  .5969     .0183   .018   .014   .016   .004  -.001   .002
O4    .6748 .4869  .6005     .0228   .021   .019   .019   .006   .003   .004
O5    .5120 .7745  .5929     .0202   .017   .025   .021   .009  -.002   .008
O6    .9588 .9167  .5956      .030   .047   .024   .025   .022  -.015  -.004
O7    .7419 .3085  .2590     .0163   .010   .016   .024   .006  -.004   .003
O8    .5580 .6530  .2563     .0160   .014   .010   .024   .002  -.006   .006
O9    .3664 .0743  .7955     .0182   .014   .016   .028   .003  -.005   .013
O10   .0089 .7533  .7795     .0205   .012   .011   .037   .005  -.003   .003
O11   .1531 .1118  .7390     .0191   .007   .015   .033   .002  -.003   .008
O12   .4926 .6294  .7335     .0180   .013   .011   .033   .006  -.005   .007
O13   .0885 .8430  .2608     .0167   .014   .012   .027   .006  -.003   .008
O14   .8529 .8952  .7917     .0241   .014   .018   .045   .006   .006   .022
O15   .7101 .6048  .8007     .0168   .014   .009   .025  -.002  -.009   .007
O16   .0249 .5524  .2668     .0181   .014   .009   .031   .002  -.004   .008
O17   .3281 .7646  .2255     .0202   .011   .014   .035   .006   .004   .010
O18   .5368 .9332  .7906     .0192   .013   .011   .033   .005  -.010   .000
O19   .5210 .1595  .9436      .034   .042   .032   .036   .020  -.002   .019
OH20  .8492 .8198  .9379      .032   .027   .027   .028   .004  -.005  -.001
Wat21 .8416 .5423  .0441      .082   .096   .059   .081   .043   .036   .031
Wat22 .1918 .8225  .0038      .086   .082   .070   .102   .043   .016   .022
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Lalondeite
Download hom/lalondeite.pdf
McDonald A M, Chao G Y
Download cm/vol47/CM47_181.pdf
The Canadian Mineralogist 47 (2009) 181-191
Lalondeite, a new hydrated Na-Ca fluorosilicate species from Mont Saint-Hilaire,
Quebec: Description and crystal structure
Locality: Poudrette quarry, Mont Saint-Hilaire, Quesbec, Canada
_database_code_amcsd 0006279
9.589 9.613 12.115 96.62 92.95 119.81 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)
Na1   .1377 .9294 .9990 .82  .029   .024   .022   .041   .009   .004   .014
Na2a   .041  .052  .714 .50  .037   .014   .018    .09   .011   .021    .03
Na2b   .979  .976  .361 .50   .06    .07    .08    .00    .03   -.01   -.04
Ca1       0    .5     0      .008   .007   .011   .006   .003   .002   .000
Ca2   .4258 .7878 .9952     .0096   .074  .0085   .011   .028  -.001   .002
Ca3   .2944 .3648 .0129 .52  .018   .014   .023   .022   .011   .004   .011
Na3   .2944 .3648 .0129 .48  .018   .014   .023   .022   .011   .004   .011
Si1   .1909 .8038 .2244      .006   .002   .007   .006   .001   .000   .001
Si2   .1802 .4380 .7737      .008   .004   .010   .012   .004   .003   .005
Si3   .3050 .6306 .3632      .008   .005   .010   .010   .003   .001   .005
Si4   .3013 .9389 .7712      .006   .006   .006   .007   .003   .001   .001
Si5   .0729 .3070 .2256      .007   .005   .008   .008   .003   .001   .001
Si6   .3628 .6988 .6305      .007   .005   .009   .006   .002   .000   .002
Si7   .4236 .3067 .7753      .008   .007   .009   .008   .005   .002   .003
Si8   .3195 .1792 .2284      .009   .006   .008   .012   .003   .000   .003
O1    .0796 .3482 .1035      .018   .016   .026    .02   .014   .007   .011
O2    .5004 .3651 .9007      .025   .026   .026    .03   .017   .003   .014
O3    .9922 .2945 .7426      .022   .002   .019    .04   .000   .000   .012
O4     .335  .663  .496      .016   .020   .021    .00   .009   .005   -.02
O5    .2202 .5295  .899      .013   .011   .014    .00   .002  -.008  -.012
O6    .3786 .9582 .8944      .012   .019   .010   .004   .007  -.004  -.004
O7    .1811 .2253 .2551      .014   .006   .016    .02   .007   .000   .005
O8    .2070 .7491  .101      .019   .020   .017    .02   .009   .016   .003
O9    .3665 .2020 .1075      .022   .018   .029    .02   .015   .009   .016
O10   .3010 .7819 .3207      .012   .007   .009    .02   .003  -.001   .004
O11   .3332 .1099 .7363      .015   .021   .013    .02   .012   .007   .005
O12   .1356 .4647  .323      .009   .006   .004    .01  -.001  -.004  -.012
O13   .3685 .8670  .674      .015   .016   .008    .02   .005   .006  -.002
O14   .2148 .5525 .6774      .010   .010   .013   .005   .004   .004   .004
O15   .8952 .1736 .2498      .021   .008   .021    .04   .007   .008   .012
O16   .4503 .6150 .3166      .013   .011   .011   .017   .006   .006   .005
O17   .5327 .7132 .6708      .016   .007   .010    .02   .001  -.012  -.008
O18   .2367 .9926 .2519      .019   .022   .010    .02   .006  -.008   .001
O19   .2800 .3443 .7488      .022   .013   .020    .03   .011  -.001   .010
F      .090  .112  .912      .042   .026   .048    .04   .009   .002    .01
Wat20  .365  .022  .490  .5  .067
Wat21  .990  .325  .504  .5  .097
Wat22  .692  .659  .497  .5  .099
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Rogermitchellite
 
McDonald A M, Chao G Y
 
The Canadian Mineralogist 48 (2010) 267-278
Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)2418H2O,
a new mineral species from Mont Saint-Hilaire, Quebec:
Description, structure determination and relationship with HFSE-bearing cyclosilicates
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006329
26.509 26.509 9.975 90 90 120 P-3c1
atom       x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    .9184  .8370  .499      .059   .046   .048   .088   .026  -.016  -.016
Sr1   .67649  .5817 .5005 .91  .017   .014   .017   .017   .006   .000  -.002
Na1   .67649  .5817 .5005 .09  .017   .014   .017   .017   .006   .000  -.002
Sr2    .9051  .5816 .4997 .89  .016   .015   .015   .018   .008   .003   .003
Na2    .9051  .5816 .4997 .11  .016   .015   .015   .018   .008   .003   .003
Ba       2/3    1/3    .5     .0196  .0158  .0158   .027  .0079      0      0
Zr1   .83860  .4193    .5     .0105  .0088   .013  .0087   .005  .0005   .000
Zr2    .8389 .67753 .4999     .0109   .012  .0120  .0087   .006   .002  .0001
Zr3        0      0    .5     .0073   .010   .010   .001  .0052      0      0
Si1    .9355  .6769 .2501      .010   .006   .004   .016  -.001   .000   .000
Si2    .6802  .4470 .2501      .007   .009   .002   .011   .005   .000   .000
Si3    .8086  .4892 .2498      .009   .009   .008   .010   .005   .000   .000
Si4    .9354  .4192 .2500      .011   .010   .014   .010   .006   .001  -.001
Si5    .7670  .5764 .2502      .010   .008   .009   .012   .004  -.001   .001
Si6    .9341  .7716 .7496      .014   .016   .013   .014   .006  -.001  -.003
Si7        0  .9042   .75      .010   .011   .014   .004   .005  -.001   .000
B1         0  .6148   .25 .78   .07    .03    .15    .07    .08    .02    .08
Si1        0  .6148   .25 .22   .07    .03    .15    .07    .08    .02    .08
B2         0  .6443   .75 .72   .05    .02    .02    .07    .00   -.11    .07
Si2        0  .6443   .75 .28   .05    .02    .02    .07    .00   -.11    .07
O1     .7727  .3561  .384      .010   .022   .008   .000   .008  -.011  -.009
O2     .9025  .4156  .387      .014   .014   .015   .007   .004   .006   .002
O3     .7030  .5183  .250      .013   .002   .000   .022  -.010   .004   .002
O4     .7723  .6120  .384      .019   .012   .005   .031  -.002  -.001  -.009
O5         0  .5222   .75      .009   .013   .010   .006   .006  -.002  -.001
O6     .8403  .6124  .617      .016   .015   .004   .025   .003   .009   .003
O7     .9010  .6729  .386      .012   .016   .006   .016   .008   .007   .000
O8     .9468  .5827  .751      .014   .018   .007   .022   .010   .001   .002
O9     .8399  .4839  .119      .011   .021   .006   .009   .008   .005   .000
O10    .7384  .4409  .251      .010   .000   .009   .018   .000   .004   .001
O11    .8403  .4842  .380      .014   .017   .012   .012   .006  -.001  -.002
O12    .9997  .9353  .616      .020   .023   .022   .014   .010   .003   .006
O13    .8149  .5537  .249      .011   .011   .003   .023   .006   .001  -.003
O14    .6434  .4162  .117      .011   .010   .010   .009   .001  -.009   .001
O15    .9026  .4874  .612      .015   .019   .022   .005   .011   .000  -.003
O16        0  .7359   .25      .014   .000   .014    .02   .000   .002   .001
O17    .9458  .6204  .250      .012   .012   .013   .015   .008   .001   .003
O18        0  .7798   .75      .017   .013   .010    .03   .006   .003   .001
O19    .9007  .6727  .114      .010   .014   .006   .012   .006  -.009   .005
O20    .9016  .7411  .615      .021   .019   .028   .017   .012  -.014  -.018
O21    .9426  .8380  .751      .022   .000   .013   .041   .005   .002   .005
O22    .8392  .7410  .384      .020   .024   .028   .013   .016   .003   .017
OH23   .9995  .5848  .377      .028   .042   .020    .02   .019  -.003   .016
OH24   .0000  .6728  .617      .029   .003   .040    .03   .001   .003   .002
Wat25  .9999  .8332  .411      .067    .08    .06    .07    .04   -.01   -.01
Wat26      0     .5    .5 .40    .1
Wat27   .999   .758  .961 .42    .1
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Parahopeite
Download hom/parahopeite.pdf
Chao G Y
Download zk/vol130/ZK130_261.pdf
Zeitschrift fur Kristallographie 130 (1969) 261-266
Refinement of the crystal structure of parahopeite
Locality: not given
_database_code_amcsd 0010701
5.768 7.550 5.276 93.417 91.183 91.367 P-1
atom     x     y     z  Biso
Zn1      0     0     0  .613
Zn2  .2518 .5984 .8166  .501
P    .2497 .3621 .2955  .332
O1   .4675 .2592 .2273  .502
O2   .2329 .3908 .5863  .794
O3   .0287 .2522 .1966  .413
O4   .2505 .5422 .1708  .678
Wat1 .2297 .8913 .2606 1.091
Wat2 .2655 .0586 .7477  .998
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Total number of retrieved datasets: 19
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