American Mineralogist Crystal Structure Database

15 matching records for this search.

Uchucchacuaite
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Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T
 
American Mineralogist 96 (2011) 1186-1189
Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with
ramdohrite and fizelyite
Note: Sample ID R100213
Locality: Uchuc-Chacua, Lima, Peru
_database_code_amcsd 0018371
19.3645 12.7287 8.7571 90 90.059 90 P2_1/n
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb1   .25569 .90189  .38932      .02333 .02553 .02243 .02205 -.00220  .00235 -.00225
Pb2   .24831 .91430 -.09676      .02597 .03002 .02111 .02677 -.00179 -.00287  .00027
Pb3   .05187 .90209  .62985      .02171 .02333 .02331 .01848  .00071 -.00042 -.00062
MnM2  .13248 .14672  .12630 .901 .02215 .02553 .01820 .02271 -.00195  .00023  .00100
AgM2  .13248 .14672  .12630 .049 .02215 .02553 .01820 .02271 -.00195  .00023  .00100
SbM2  .13248 .14672  .12630 .049 .02215 .02553 .01820 .02271 -.00195  .00023  .00100
Ag1   .14180 .17609  .62300      .04323 .04022 .05037 .03909  .02409 -.00854 -.00213
Sb1   .35239 .12500  .64424      .01855 .02275 .01688 .01602  .00103 -.00096  .00094
Sb2   .44416 .86816  .61507      .01736 .01626 .01710 .01872 -.00008 -.00132  .00165
Sb3   .12858 .64468  .38406      .01656 .01846 .01558 .01564 -.00013  .00014  .00058
Sb4  -.05365 .64186  .63757      .01826 .01878 .01942 .01659 -.00110 -.00056 -.00098
Sb5   .05504 .88068  .14369      .01725 .01895 .01619 .01661 -.00224  .00011  .00100
S1    .39618 .99378 -.16787      .01855 .02497 .01978 .01092  .00521 -.00037 -.00052
S2   -.00750 .75035  .84718      .02154 .02400 .02774 .01287 -.00777 -.00253 -.00139
S3    .23547 .04514 -.35328      .01971 .01922 .02005 .01984  .00465 -.00118 -.00123
S4    .33934 .76560  .60393      .01936 .01995 .01958 .01855 -.00387  .00040  .00119
S5    .10238 .98922  .93968      .01940 .02329 .02091 .01402 -.00606 -.00117  .00165
S6    .16465 .76181  .59014      .01839 .01787 .02207 .01525 -.00114  .00177 -.00037
S7    .40150 .00041  .42961      .01823 .01898 .02056 .01514 -.00130  .00070  .00216
S8   -.01717 .76461  .42988      .01853 .01901 .02455 .01204 -.00030 -.00014  .00038
S9    .25576 .06069  .13379      .01861 .01729 .01943 .01913 -.00381 -.00120  .00155
S10  -.16685 .72249  .65532      .01833 .01691 .02127 .01679 -.00115 -.00068  .00151
S11   .09330 .00701  .33500      .01970 .02643 .01805 .01463 -.00125  .00234 -.00122
S12   .15984 .76684  .16766      .01789 .02021 .01749 .01597  .00078  .00191  .00131
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Uchucchacuaite
Download hom/uchucchacuaite.pdf
Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T
 
American Mineralogist 96 (2011) 1186-1189
Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with
ramdohrite and fizelyite
Note: Sample ID R070760
Locality: Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan
_database_code_amcsd 0018372
19.3462 12.7251 8.7472 90 90.017 90 P2_1/n
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb1   .25586 .90166  .38972      .02268 .02419 .02214 .02172 -.00335  .00297 -.00268
Pb2   .24825 .91460 -.09672      .02481 .02801 .02039 .02603 -.00215 -.00251  .00026
Pb3   .05180 .90146  .62997      .02017 .02071 .02176 .01803  .00080 -.00013 -.00048
MnM2  .13211 .14680  .12588 .919 .02146 .02509 .01643 .02287 -.00079  .00285 -.00035
AgM2  .13211 .14680  .12588 .041 .02146 .02509 .01643 .02287 -.00079  .00285 -.00035
SbM2  .13211 .14680  .12588 .041 .02146 .02509 .01643 .02287 -.00079  .00285 -.00035
Ag    .14163 .17629  .62300      .04260 .03778 .04964 .04037  .02410 -.00956 -.00215
Sb1   .35223 .12524  .64425      .01701 .01950 .01597 .01556  .00112 -.00052  .00065
Sb2   .44411 .86875  .61565      .01603 .01384 .01628 .01798 -.00015 -.00117  .00216
Sb3   .12878 .64473  .38365      .01556 .01579 .01474 .01617  .00021  .00045  .00025
Sb4  -.05359 .64154  .63753      .01644 .01639 .01757 .01537 -.00037 -.00019 -.00096
Sb5   .05487 .88067  .14325      .01530 .01551 .01544 .01495 -.00198  .00028  .00071
S1    .39626 .99419 -.16734      .01814 .02290 .01939 .01214  .00497 -.00045 -.00025
S2   -.00740 .74981  .84770      .01975 .02152 .02470 .01303 -.00636 -.00200  .00076
S3    .23527 .04558 -.35350      .01868 .01762 .01872 .01970  .00387 -.00070 -.00173
S4    .33928 .76619  .60375      .01837 .01645 .01894 .01974 -.00389  .00112  .00320
S5    .10245 .98885  .93949      .01907 .02051 .02276 .01395 -.00604 -.00133  .00257
S6    .16491 .76177  .59025      .01746 .01781 .01853 .01603 -.00118  .00130 -.00050
S7    .40142 .00063  .42987      .01598 .01860 .01581 .01352  .00012  .00072  .00204
S8   -.01713 .76437  .43022      .01735 .01561 .02404 .01239 -.00203 -.00078  .00060
S9    .25571 .06084  .13438      .01763 .01518 .01680 .02092 -.00308  .00087  .00135
S10  -.16697 .72155  .65435      .01791 .01466 .02164 .01742 -.00133 -.00007  .00263
S11   .09300 .00653  .33590      .01991 .02549 .01757 .01666 -.00152  .00192 -.00221
S12   .15966 .76696  .16719      .01658 .01734 .01725 .01515  .00027  .00011  .00138
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Markascherite
 
Yang H, Jenkins R A, Thompson R M, Downs R T, Evans S H, Bloch E M
 
American Mineralogist 97 (2012) 197-202
Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite,
from Copper Creek, Pinal County, Arizona, U.S.A.
Locality: Copper Creek, Pinal County, Arizona, USA
_database_code_amcsd 0018649
9.9904 5.9934 5.5255 90 97.428 90 P2_1/m
atom       x     y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  -.00037   .25 -.00385 .0103  .0161  .0065  .0090      0  .0040      0
Cu2        0    .5      .5 .0098  .0139  .0074  .0086 -.0001  .0039  .0009
Cu3       .5    .5       0 .0130  .0125  .0114  .0163 -.0004  .0071  .0002
Mo    .32101   .25  .42366 .0098  .0092  .0107  .0099      0  .0022      0
O1     .1432   .25   .3533 .0138   .011   .015   .015      0   .001      0
O2     .3940   .25   .1365 .0153   .014   .016   .017      0   .008      0
O3     .3636 .0137   .5975 .0210   .021   .020   .022  .0040   .000  .0073
OH4    .1016   .75   .4040 .0126   .014   .009   .015      0   .001      0
OH5    .3922   .75   .0855 .0159   .014   .018   .017      0   .007      0
OH6    .0913 .5029   .8514 .0115   .011   .011   .013 -.0002   .003  .0011
H1      .173   .75     .44   .03
H2      .367   .75     .25   .03
H3      .165  .516    .837   .03
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Rongibbsite
 
Yang H, Downs R T, Evans S H, Jenkins R A, Bloch E M
 
American Mineralogist 98 (2013) 236-241
Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an
interrupted framework from Maricopa County, Arizona, U.S.A.
Locality: Big Horn Mountains, Maricopa County, Arizona, USA
_database_code_amcsd 0019710
7.8356 13.9132 10.2775 90 92.925 90 I2/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)
Pb    .09729 .34602 .34367 .802 .01822 .02299 .01679 .01477  .00332 -.00019 -.00136
Pb'   .10313 .33075 .34924 .198 .02774 .03159 .03245 .01811  .01856 -.00932 -.00819
SiT1  .32365 .39185 .66099      .01126 .01366 .01013 .01001  .00024  .00085 -.00102
SiT2  .19392 .11266 .53609  .80 .01088 .01048 .01006 .01205 -.00017 -.00003  .00034
AlT2  .19392 .11266 .53609  .20 .01088 .01048 .01006 .01205 -.00017 -.00003  .00034
AlT3      .5 .24649     .5  .60 .00733 .00710 .00566 .00922       0  .00026       0
SiT3      .5 .24649     .5  .40 .00733 .00710 .00566 .00922       0  .00026       0
O1    .23932 .12479 .69315      .01883 .02209 .02019 .01452 -.00242  .00407  .00043
O2         0 .15506     .5      .02141 .01415 .01941 .03045       0 -.00098       0
O3    .20846      0 .48925      .01874 .02521 .00985 .02106       0  .00016       0
O4    .15728 .37490 .56303      .01828 .01770 .02095 .01589 -.00006 -.00200 -.00264
O5    .39855     .5 .64981      .01673 .01796 .01091 .02179       0  .00553       0
O6    .32993 .17896 .45812      .01740 .01756 .01858 .01618  .00052  .00197  .00046
O7    .47538 .31765 .63132      .01602 .01528 .01290 .01986  .00518  .00051 -.00404
O8H   .12819     .5 .28393      .04113 .06374 .02491 .03556       0  .01063       0
H     .24320     .5 .30933      .03000
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Scottyite
 
Yang H, Downs R T, Evans S H, Pinch W W
 
American Mineralogist 98 (2013) 478-484
Scottyite, the natural analog of synthetic BaCu2Si2O7,
a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa
Locality: Wessels mine, Kalahari Manganese Fields, South Africa
_database_code_amcsd 0019774
6.8556 13.1725 6.8901 90 90 90 Pnma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .01303    .25 .45688 .00970  .0089  .0108  .0095      0 -.0008      0
Cu   .27762 .00417 .20631 .00714  .0089  .0057  .0068  .0014 -.0023 -.0008
Si   .49765 .13406 .52716  .0057  .0066  .0047  .0057 .00039  .0004 -.0000
O1    .4044    .25  .5167  .0087  .0084  .0057  .0120      0 -.0004      0
O2    .1725  .1337  .1306  .0104  .0122  .0068  .0122  .0022 -.0053 -.0003
O3    .5590  .1121  .7486  .0111  .0152  .0098  .0083  .0048 -.0031 -.0017
O4    .3173  .0596  .4658  .0078  .0105  .0076  .0053 -.0022  .0007 -.0010
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Terrywallaceite
 
Yang H, Downs R T, Evans S H, Pinch W W
 
American Mineralogist 98 (2013) 1310-131
Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from
Mina Herminia, Julcani Mining District, Huancavelica, Peru
Locality: Mina Herminia, Julcani Mining District, Huancavelica, Peru
_database_code_amcsd 0019975
6.9764 19.3507 8.3870 90 107.519 90 P2_1/c
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag   .13556 .36504 .28477      .04650 .05620 .04025 .04091  .02565 .01140  .00054
Pb   .63960 .25004 .15889      .02545 .02400 .02884 .02391  .00168 .00780  .00025
Bi1  .18850 .35966 .79992  .82 .01639 .01527 .01707 .01709 -.00127 .00527  .00046
Sb1  .18850 .35966 .79992  .18 .01639 .01527 .01707 .01709 -.00127 .00527  .00046
Bi2  .25787 .54936 .56150  .60 .01644 .01759 .01442 .01688 -.00012 .00453 -.00028
Sb2  .25787 .54936 .56150  .40 .01644 .01759 .01442 .01688 -.00012 .00453 -.00028
Bi3  .72321 .44406 .92624  .05 .01552 .01488 .01593 .01649  .00024 .00584 -.00098
Sb3  .72321 .44406 .92624  .95 .01552 .01488 .01593 .01649  .00024 .00584 -.00098
S1   .01486 .49183 .28695      .02173 .02706 .02114 .01848 -.00385 .00908 -.00220
S2   .91317 .33302 .49485      .01888 .02138 .01645 .01936 -.00069 .00697 -.00064
S3   .50920 .40216 .09714      .02103 .02171 .02261 .01982 -.00195 .00781 -.00234
S4   .35472 .23903 .83895      .01901 .01839 .01988 .01838 -.00212 .00493 -.00106
S5   .50399 .59671 .35065      .02105 .01990 .02342 .02063 -.00004 .00731  .00050
S6   .92091 .33510 .97299      .01878 .02056 .01590 .02061  .00275 .00728  .00184
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Lavinskyite
 
Yang H, Downs R T, Evans S H, Pinch W W
 
American Mineralogist 99 (2014) 525-530
Lavinskyite, K(LiCu)Cu6(Si4O11)2(OH)4, isotypic with plancheite, a new mineral
from the Wessels mine, Kalahari Manganese Fields, South Africa
Locality: Wessels mine, Kalahari Manganese Fields, South Africa
_database_code_amcsd 0020034
19.046 20.377 5.2497 90 90 90 Pcnb
atom       x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
KA        .5     .25  .9725       .0239  .0200  .0279  .0238  -.0094       0      0
LiM4   .2081   .3011   .814   .5   .061
CuM1  .45964  .00661 .25459 .775 .00846  .0092  .0096  .0065 -.00285 -.00239 .00292
MgM1  .45964  .00661 .25459 .225 .00846  .0092  .0096  .0065 -.00285 -.00239 .00292
CuM2 .375444 .027332 .77970      .00960 .00940 .01169 .00771 -.00220 -.00182 .00302
CuM3  .29265 .051855 .29637      .00918 .00951  .0122 .00585 -.00343 -.00187 .00271
CuM4  .25019  .30433 .70605   .5  .0145  .0117  .0074  .0244   .0001  -.0074  .0003
Si1   .64168  .10879 .92937      .00656  .0077  .0068  .0051  -.0009  -.0007  .0001
Si2   .56233  .12204 .43146      .00660  .0079  .0068  .0050  -.0004   .0000  .0002
Si3   .40602  .15778 .47509      .00648  .0068  .0075  .0051  -.0011   .0003  .0004
Si4   .32834  .18205 .98224      .00701  .0088  .0075  .0048  -.0007  -.0002  .0002
O1    .62791  .03106  .9192       .0088  .0102  .0075  .0087  -.0016  -.0010 -.0001
O2    .54587  .04545  .4319       .0095  .0128  .0081  .0076  -.0020   .0003  .0016
O3    .38089  .08254  .4653       .0086  .0108  .0078  .0071  -.0033  -.0017 -.0002
O4    .29968  .10819  .9986       .0116  .0146  .0117  .0087  -.0022  -.0022  .0004
O5    .72370  .12728  .9552       .0127  .0082  .0151  .0148  -.0035  -.0022  .0000
O6    .59839  .14424  .1638       .0111  .0158  .0089  .0086   .0006   .0040  .0001
O7    .61253  .14322  .6677       .0115  .0161  .0102  .0081  -.0022  -.0041  .0007
O8    .49132  .16592  .4616       .0122  .0071  .0090  .0206  -.0009   .0018 -.0007
O9    .38343  .19134  .7418       .0110  .0152  .0108  .0069  -.0027   .0044 -.0016
O10   .37822  .19824  .2306       .0108  .0169  .0087  .0068  -.0031  -.0032  .0013
O11   .27090  .23876  .9597       .0161  .0151  .0172  .0160   .0059  -.0028 -.0019
Oh12  .46093  .06030  .9434       .0127  .0138  .0110  .0134  -.0049  -.0033  .0025
Oh13  .28510  .00195  .6192       .0082  .0081  .0095  .0069  -.0011  -.0002  .0014
H1      .274   -.032   .593        .040
H2      .469    .096   .916        .040
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Rruffite
 
Yang H, Jenkins R A, Downs R T, Evans S H, Tait K T
 
The Canadian Mineralogist 49 (2011) 877-884
Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile
Locality: the Maria Catalina mine, Tierra Amarilla, Chile
_database_code_amcsd 0018388
5.8618 12.7854 5.7025 90 109.425 90 P2_1/c
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .56418 .12303 .21155 .0100  .0089  .0094  .0119 -.0003  .0038 -.0010
Cu        0      0      0 .0128  .0109  .0121  .0136  .0001  .0016 -.0044
As   .22626 .12128 .54652 .0080  .0074  .0076  .0084  .0002  .0019 -.0001
O1    .2381  .0379  .3183 .0119  .0102  .0135  .0118 -.0006  .0032 -.0048
O2    .3018  .0542  .8149 .0112  .0124  .0104  .0106  .0011  .0037  .0026
O3    .9533  .1749  .4816 .0121  .0083  .0126  .0142  .0041  .0020  .0001
O4    .4468  .2067  .5496 .0126  .0114  .0116  .0156 -.0049  .0056 -.0024
O5    .8261  .1361  .9559 .0112  .0112  .0095  .0105 -.0009  .0004 -.0011
H1     .731   .141   .855   .04
H2     .897   .197   .983   .04
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Vladimirite
Download hom/vladimirite.pdf
Yang H, Evans S H, Downs R T, Jenkins R A
 
The Canadian Mineralogist 49 (2011) 1055-1064
The crystal structure of vladimirite, with a revised chemical formula,
Ca4(AsO4)2(AsO3OH)*4H2O
Note: Sample R080001
Locality: Corbriza mine, Copiapo, Chile
_database_code_amcsd 0018559
5.8220 10.1750 22.8816 90 96.902 90 P2_1/c
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca1   .67088 .72608 .00248 .00893 .00654 .01062 .00963 -.00001  .00103 -.00118
Ca2   .00529 .85202 .14095 .00889 .00690 .00970 .01001  .00056  .00078  .00104
Ca3   .88886 .32106 .10693 .01121 .00979 .01398 .01017  .00279  .00253  .00264
Ca4   .43349 .36413 .24541 .01008 .00709 .01097 .01175  .00064 -.00073 -.00002
As1   .86863 .54832 .21400 .00729 .00611 .00729 .00828  .00042  .00008  .00038
As2   .54073 .00136 .09702 .00745 .00565 .00761 .00909  .00072  .00094  .00070
As3   .23069 .58485 .04961 .00716 .00516 .00790 .00833  .00013  .00049  .00003
O1    .85658 .71403 .21263 .01023 .00959 .00764 .01368  .00062  .00233  .00126
O2    .13252 .49711 .20182 .01385 .00705 .01508 .02015  .00536  .00464  .00379
O3    .67395 .48099 .16103 .01427 .01296 .01092 .01658  .00070 -.00784 -.00169
O4    .79234 .49182 .27806 .01141 .01077 .01298 .01130 -.00102  .00463  .00240
O5    .54373 .16439 .08186 .00971 .00751 .00777 .01376  .00060  .00085  .00192
O6    .26566 .95039 .08639 .01264 .00269 .01639 .01848 -.00205 -.00026  .00322
O7    .66445 .97783 .16753 .01163 .00952 .01435 .01044  .00136 -.00116  .00165
O8    .71454 .91481 .05847 .01198 .00825 .01385 .01412  .00369  .00252 -.00391
O9    .69988 .38575 .01794 .01269 .00996 .02010 .00800 -.00017  .00108  .00210
O10   .01310 .67449 .06963 .01182 .00829 .01333 .01399  .00317  .00198 -.00315
O11   .19683 .42550 .06268 .01205 .01387 .00649 .01675 -.00123  .00574  .00016
O12H  .48805 .63941 .08875 .00922 .00244 .01249 .01181 -.00189 -.00294  .00081
OW1   .02292 .15298 .04195 .01346 .00923 .01358 .01709  .00045 -.00041  .00017
OW2   .25242 .22770 .16284 .01312 .01416 .01275 .01323  .00049  .00490 -.00044
OW3   .76927 .22847 .19861 .01419 .01526 .01218 .01393 -.00035 -.00315  .00083
OW4   .65734 .22946 .31531 .01232 .01160 .01349 .01234  .00084  .00337  .00171
H1   -.06777 .14716 .01838    .03
H2    .07965 .07778 .05729    .03
H3    .22120 .15586 .17657    .03
H4    .32656 .22304 .14200    .03
H5    .74762 .15182 .19028    .03
H6    .87710 .23515 .22272    .03
H7    .71229 .17020 .30609    .03
H8    .59319 .21274 .34230    .03
H9    .56958 .55717 .12278    .03
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Vladimirite
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Yang H, Evans S H, Downs R T, Jenkins R A
 
The Canadian Mineralogist 49 (2011) 1055-1064
The crystal structure of vladimirite, with a revised chemical formula,
Ca4(AsO4)2(AsO3OH)*4H2O
Note: Sample R100075
Locality: Ait Ahmane vein No. 53, Bou Azzer district, Morroco
_database_code_amcsd 0018560
5.8279 10.1802 22.8944 90 96.943 90 P2_1/c
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca1   .67087 .72601 .00250 .00903 .00882 .00966 .00864  .00006  .00125 -.00106
Ca2   .00525 .85202 .14094 .00875 .00836 .00887 .00906  .00049  .00118  .00124
Ca3   .88901 .32115 .10694 .01124 .01197 .01279 .00938  .00266  .00304  .00243
Ca4   .43361 .36411 .24537 .01010 .00955 .00960 .01072  .00046 -.00053 -.00027
As1   .86851 .54829 .21401 .00704 .00763 .00608 .00729  .00056  .00047  .00042
As2   .54070 .00128 .09702 .00733 .00710 .00670 .00827  .00058  .00131  .00061
As3   .23074 .58486 .04956 .00718 .00697 .00703 .00756  .00015  .00098  .00005
O1    .85631 .71384 .21273 .00963 .01140 .00654 .01124  .00033  .00247  .00046
O2    .13205 .49715 .20166 .01402 .01181 .01405 .01715  .00569  .00558  .00367
O3    .67374 .48109 .16106 .01463 .01797 .00999 .01391  .00017 -.00629 -.00084
O4    .79173 .49184 .27804 .01209 .01493 .01168 .01037 -.00084  .00439  .00206
O5    .54435 .16434 .08188 .01032 .01235 .00710 .01132  .00060  .00063  .00165
O6    .26501 .95021 .08624 .01336 .00791 .01457 .01750 -.00265  .00110  .00411
O7    .66427 .97778 .16747 .01169 .01365 .01214 .00898  .00176  .00012  .00309
O8    .71472 .91483 .05839 .01199 .01243 .01104 .01297  .00236  .00340 -.00388
O9    .69994 .38580 .01805 .01284 .01128 .02017 .00711  .00027  .00132  .00239
O10   .01321 .67453 .06959 .01142 .00852 .01221 .01314  .00288 -.00028 -.00260
O11   .19637 .42536 .06268 .01108 .01422 .00575 .01404 -.00124  .00486 -.00080
O12H  .48847 .63978 .08884 .01012 .00829 .01136 .00999 -.00007 -.00179  .00156
OW1   .02305 .15367 .04187 .01396 .01170 .01021 .01975  .00151  .00102  .00149
OW2   .25261 .22762 .16275 .01270 .01489 .01237 .01157  .00121  .00455  .00025
OW3   .76957 .22834 .19865 .01400 .01582 .01297 .01210 -.00143 -.00282  .00021
OW4   .65792 .22953 .31522 .01189 .01217 .01176 .01221  .00085  .00339  .00146
H1   -.07100 .13772 .01910    .03
H2    .08161 .08131 .05382    .03
H3    .23135 .15423 .17793    .03
H4    .34081 .21940 .13845    .03
H5    .74002 .14615 .19077    .03
H6    .86932 .23422 .22131    .03
H7    .70746 .15775 .30747    .03
H8    .60468 .21025 .34196    .03
H9    .56736 .57309 .11828    .03
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Whitlockite
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Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H
 
The Canadian Mineralogist 49 (2011) 1065-1078
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
and its structural relationship with whitlockite-type compounds
Locality: Palermo #1 quarry, New Hampshire, USA
_database_code_amcsd 0018920
10.3590 10.3590 37.0857 90 90 120 R3c
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1   .29278 .15662  .67220     .02062 .03638 .01881 .01595 .02075 -.01259 -.00863
Ca2   .28035 .14623  .56520     .00930 .01040 .00952 .00875 .00556 -.00041 -.00112
Ca3   .38769 .18008  .76765     .00975 .01074 .00889 .00949 .00482 -.00238 -.00091
Mg         0      0 -.00028 .62 .00842 .00824 .00824 .00880 .00412       0       0
Fe         0      0 -.00028 .35 .00842 .00824 .00824 .00880 .00412       0       0
Mn         0      0 -.00028 .02 .00842 .00824 .00824 .00880 .00412       0       0
Al         0      0 -.00028 .02 .00842 .00824 .00824 .00880 .00412       0       0
P1A        0      0  .75326 .85 .01108 .00742 .00742 .01842 .00371       0       0
P1B        0      0  .73176 .15 .00001 .00001 .00001 .00001 .00000       0       0
P2    .31690 .14343  .86428     .00802 .00854 .00890 .00737 .00493  .00116  .00122
P3    .35083 .15788  .96718     .00818 .00864 .00901 .00704 .00453  .00001  .00041
O1    .27579 .09357  .82513     .01713 .02506 .02073 .00765 .01299  .00020 -.00054
O2    .24620 .23279  .87771     .01379 .01576 .01741 .01485 .01328  .00271  .00169
O3    .27237 .00161  .88627     .01107 .01098 .00806 .01155 .00280  .00214  .00168
O4    .48768 .24153  .86884     .01190 .00960 .00745 .01702 .00306  .00308  .00117
O5    .40292 .19613  .00664     .01408 .02107 .01642 .00747 .01140 -.00222 -.00219
O6    .39991 .04894  .95358     .01285 .01482 .01564 .01260 .01099 -.00076 -.00297
O7    .41667 .30451  .94644     .01458 .01473 .01139 .01331 .00330  .00211  .00459
O8    .17933 .07942  .96326     .01118 .00748 .00978 .01400 .00260  .00045 -.00039
OH9        0      0  .79758 .85 .03592 .03017 .03017 .04742 .01508       0       0
OH9B       0      0  .68932 .15 .02042 .01484 .01484 .03158 .00742       0       0
O10  -.01931 .12946  .74202     .01738 .01831 .00950 .02690 .00887  .00857  .00398
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Bobdownsite
 
Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H
 
The Canadian Mineralogist 49 (2011) 1065-1078
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
and its structural relationship with whitlockite-type compounds
Sample number R050109
Locality: Big Fish River, Yukon Territory, Canada
_database_code_amcsd 0018921
10.3224 10.3224 37.0700 90 90 120 R3c
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1   .29204 .15618  .67232 .92 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810
Na1   .29204 .15618  .67232 .08 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810
Ca2   .28036 .14639  .56518     .00958 .01052 .00967 .00938 .00568 -.00060 -.00144
Ca3   .38693 .17961  .76766     .01023 .01158 .00933 .00965 .00513 -.00211 -.00056
Mg         0      0 -.00027 .72 .00926 .00932 .00932 .00915 .00466       0       0
Fe3+       0      0 -.00027 .13 .00926 .00932 .00932 .00915 .00466       0       0
Al         0      0 -.00027 .11 .00926 .00932 .00932 .00915 .00466       0       0
Fe2+       0      0 -.00027 .04 .00926 .00932 .00932 .00915 .00466       0       0
P1A        0      0  .75327 .85 .01079 .00859 .00859 .01519 .00429       0       0
P1B        0      0  .73224 .15 .00310 .00424 .00424 .00082 .00212       0       0
P2    .31741 .14328  .86398     .00838 .00923 .00889 .00802 .00528 -.00002  .00048
P3    .35016 .15739  .96736     .00808 .00866 .00858 .00717 .00444 -.00007  .00039
O1    .27457 .09214  .82483     .01685 .02334 .02027 .00918 .01258  .00063 -.00010
O2    .24800 .23372  .87773     .01460 .01738 .01953 .01381 .01442  .00189  .00041
O3    .27343 .00192  .88653     .01074 .01110 .00819 .00999 .00262  .00214  .00158
O4    .48946 .24182  .86809     .01222 .00775 .00834 .01814 .00219  .00216  .00141
O5    .40343 .19661  .00672     .01499 .02395 .01651 .00755 .01240 -.00328 -.00191
O6    .39835 .04735  .95383     .01252 .01311 .01586 .01183 .00968 -.00188 -.00272
O7    .41548 .30324  .94638     .01468 .01650 .01236 .01213 .00494  .00229  .00501
O8    .17792 .07889  .96373     .01169 .00861 .01090 .01411 .00380 -.00017  .00024
O9   -.01911 .12994  .74208     .01860 .01781 .01342 .02749 .00999  .00844  .00417
F1A        0      0  .79710 .85 .04092 .03719 .03719 .04838 .01860       0       0
F1B        0      0  .68929 .15 .01688
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Bobdownsite
 
Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H
 
The Canadian Mineralogist 49 (2011) 1065-1078
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
and its structural relationship with whitlockite-type compounds
Sample number R070654
Locality: Tip Top mine, South Dakota, USA
_database_code_amcsd 0018922
10.3394 10.3394 37.0836 90 90 120 R3c
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1   .29139 .15560  .67238     .02147 .03703 .01956 .01715 .02116 -.01176 -.00842
Ca2   .28027 .14660  .56521     .01020 .01097 .01029 .01016 .00593 -.00061 -.00140
Ca3   .38790 .18026  .76766     .01073 .01209 .00913 .01070 .00510 -.00259 -.00070
Mg         0      0 -.00029 .96 .01249 .01252 .01252 .01243 .00626       0       0
Al         0      0 -.00029 .04 .01249 .01252 .01252 .01243 .00626       0       0
P1A        0      0  .75328 .81 .01100 .00840 .00840 .01621 .00420       0       0
P1B        0      0  .73141 .16 .00938 .01074 .01074 .00667 .00537       0       0
P2    .31797 .14350  .86408     .00896 .00915 .00936 .00915 .00521  .00044  .00073
P3    .35050 .15790  .96726     .00905 .00874 .00979 .00828 .00439  .00021  .00074
O1    .27505 .09304  .82489     .01846 .02380 .02091 .01092 .01135 -.00044 -.00017
O2    .24781 .23355  .87747     .01510 .01753 .01909 .01519 .01403  .00250  .00070
O3    .27316 .00185  .88617     .01185 .01122 .00976 .01197 .00331  .00188  .00224
O4    .48916 .24185  .86830     .01220 .00818 .00880 .01811 .00310  .00257  .00179
O5    .40357 .19701  .00671     .01662 .02488 .01931 .00850 .01316 -.00182 -.00105
O6    .39911 .04845  .95381     .01399 .01460 .01805 .01320 .01109 -.00099 -.00180
O7    .41528 .30367  .94631     .01594 .01513 .01249 .01589 .00367  .00007  .00322
O8    .17901 .07881  .96363     .01181 .00827 .01062 .01572 .00412  .00081  .00022
F9         0      0  .79715 .84 .04541 .04343 .04343 .04937 .02171       0       0
OH9        0      0  .79715 .16 .04541 .04343 .04343 .04937 .02171       0       0
O10  -.02014 .12977  .74149     .01912 .01766 .01132 .02970 .00825  .00700  .00498
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Despujolsite
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Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=67&spage=47
Acta Crystallographica E67 (2011) i47-i48
Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0018458
8.5405 8.5405 10.8094 90 90 120 P-62c
atom     x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .1521 .30348     .25 .01085  .0137 .00918 .00980  .0058      0      0
Mn       0      0       0 .00846 .00919 .00919  .0070 .00460      0      0
S      1/3    2/3  .02544 .00936 .01001 .01001  .0081 .00501      0      0
O1     1/3    2/3 -.11153  .0167  .0213  .0213  .0075  .0107      0      0
O2   .2419 .47842  .06891  .0188   .027  .0106  .0170   .008   .004  .0033
Oh3  .8945  .0966  .11070  .0109  .0084  .0148  .0107  .0067 -.0006 -.0004
OW4  .5006  .4853     .25  .0171   .019   .023  .0136  .0138      0      0
H1    .836   .125    .076   .026
H2    .521   .445    .193   .046
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Lotharmeyerite
Download hom/lotharmeyerite.pdf
Yang Y W, Evans S H, Downs R T, Yang H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=9
Acta Crystallographica E68 (2012) i9-i10
Lotharmeyerite, Ca(Zn,Mn)2(AsO4)2(H2O,OH)2
Locality: Mapimi, Durango, Mexico
Note: RRUFF.info/R060862
_database_code_amcsd 0018604
9.0727 6.2530 7.4150 90 116.739 90 C2/m
atom      x     y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Ca1       0     0      0      .01360  .0185  .0120  .0108      0  .0070       0
Zn1     .25   .25     .5 .512 .00936 .00931 .00899  .0080 .00002 .00232 -.00002
Mn1     .25   .25     .5 .488 .00936 .00931 .00899  .0080 .00002 .00232 -.00002
As1  .41579     0 .20474      .00864 .00787 .00860 .00895      0 .00336       0
O1    .3390    .5  .4132       .0140  .0098  .0201  .0092      0  .0017       0
O2    .3182     0  .3536       .0153  .0192  .0116  .0220      0  .0155       0
O3   .03469 .2798  .2437       .0127  .0122  .0110  .0146  .0023  .0057  -.0005
O4    .2569     0 -.0265       .0199  .0150  .0294  .0111      0  .0020       0
H1     .440    .5   .464  .50   .040
H2     .298    .5   .313        .040
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Total number of retrieved datasets: 15
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