|
Grischunite |
 |
Bianchi R, Pilati T, Mannucci G |
 |
American Mineralogist 72 (1987) 1225-1229 |
|
Crystal structure of grischunite |
|
Locality: the old manganese mine, Falotta, Graubunden, Switzerland |
|
_database_code_amcsd 0001131 |
|
12.855 13.487 12.047 90 90 90 Pcab |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
As1 .38647 .30184 .22290 .48 .00058 .00091 .00071 -.00011 -.00004 -.00025 |
|
As2 .10259 .44276 .24941 .50 .00095 .00061 .00073 .00031 -.00029 -.00004 |
|
As3 .27068 .12342 .46957 .60 .00095 .00057 .00132 -.00008 -.00071 -.00005 |
|
Mn1 .14943 .20588 .22049 .72 .00080 .00089 .00167 .00002 .00005 .00002 |
|
Mn2 .33363 .04294 .21900 .5 .93 .00129 .00127 .00171 .00002 -.00002 -.00002 |
|
Fe2 .33363 .04294 .21900 .5 .93 .00129 .00127 .00171 .00002 -.00002 -.00002 |
|
Mn3 .02378 .26978 .45401 .99 .00187 .00141 .00118 -.00015 -.00001 -.00003 |
|
Ca .2626 .3725 .4908 .62 .00089 .00121 .00065 -.00009 -.00010 .00006 |
|
Na 0 0 0 .730 1.89 .00014 .00033 .00040 .00007 -.00012 .00052 |
|
Ca 0 0 0 .121 1.89 .00014 .00033 .00040 .00007 -.00012 .00052 |
|
O1 .4999 .2697 .2827 .73 .00002 .00020 .00011 -.00003 -.00009 .00005 |
|
O2 .4065 .3429 .0935 .97 .00017 .00020 .00007 .00006 .00006 -.00001 |
|
O3 .3140 .1989 .2119 1.23 .00010 .00013 .00036 -.00015 -.00006 -.00003 |
|
O4 .3297 .3864 .3055 .89 .00010 .00019 .00010 .00002 .00008 -.00011 |
|
O5 .1704 .5489 .2539 1.29 .00030 .00006 .00025 -.00007 .00004 .00009 |
|
O6 .1608 .3581 .1684 .70 .00015 .00007 .00011 .00006 .00002 -.00006 |
|
O7 .0929 .4040 .3807 .76 .00020 .00007 .00007 -.00004 .00008 .00001 |
|
O8 -.0114 .4684 .1873 1.4 .00015 .00030 .00019 .00020 -.00011 .00002 |
|
O9 .1908 .2105 .4139 .90 .00014 .00008 .00021 .00011 .00002 -.00002 |
|
O10 .3632 .1906 .5373 1.3 .00015 .00022 .00019 -.00026 -.00001 -.00011 |
|
O11 .2020 .0433 .5480 1.4 .00022 .00005 .00039 -.00012 -.00025 .00020 |
|
O12 .3414 .0493 .3857 2.2 .00040 .00030 .00030 .00048 -.00039 -.00042 |
|
O13 -.0257 .1177 .4843 1.09 .00022 .00009 .00020 .00001 .00010 .00008 |
|
H1 .031 .090 .555 |
|
H2 -.008 .078 .424 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 1 from Iveland |
|
_database_code_amcsd 0001160 |
|
6.650 8.616 4.686 90 102.20 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sc 0 .30503 .5 .56 .0074 .0082 .0082 0 .0003 0 |
|
Y 0 .30503 .5 .44 .0074 .0082 .0082 0 .0003 0 |
|
Si .22108 0 -.08762 .98 .0079 .0086 .0056 0 -.0007 0 |
|
Al .22108 0 -.08762 .02 .0079 .0086 .0056 0 -.0007 0 |
|
O1 0 0 0 .0075 .0777 .0426 0 .0083 0 |
|
O2 .38654 0 .22171 .0095 .0106 .0062 0 -.0016 0 |
|
O3 .23655 .15499 -.28174 .0262 .0086 .0095 .0023 .0022 .0021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 2 from Setesdalen |
|
_database_code_amcsd 0001161 |
|
6.587 8.547 4.695 90 102.65 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sc 0 .30670 .5 .69 .0087 .0088 .0109 0 .0007 0 |
|
Y 0 .30670 .5 .31 .0087 .0088 .0109 0 .0007 0 |
|
Si .22179 0 -.08941 .98 .0094 .0101 .0082 0 .0001 0 |
|
Al .22179 0 -.08941 .02 .0094 .0101 .0082 0 .0001 0 |
|
O1 0 0 0 .0116 .0706 .0416 0 .0117 0 |
|
O2 .38887 0 .22133 .0114 .0113 .0086 0 .0000 0 |
|
O3 .23544 .15622 -.28405 .0231 .0103 .0127 .0028 .0034 .0021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 3 from Flat, Evje |
|
_database_code_amcsd 0001162 |
|
6.582 8.555 4.693 90 102.59 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sc 0 .30666 .5 .80 .0075 .0074 .0084 0 .0006 0 |
|
Y 0 .30666 .5 .20 .0075 .0074 .0084 0 .0006 0 |
|
Si .22221 0 -.08977 .98 .0087 .0085 .0063 0 -.0002 0 |
|
Al .22211 0 -.08977 .02 .0087 .0085 .0063 0 -.0002 0 |
|
O1 0 0 0 .0141 .0557 .0328 0 .0086 0 |
|
O2 .38959 0 .22099 .0099 .0097 .0070 0 -.0012 0 |
|
O3 .23522 .15615 -.28407 .0208 .0091 .0104 .0022 .0046 .0022 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 4 from Malagasy Republic |
|
_database_code_amcsd 0001163 |
|
6.527 8.507 4.691 90 102.78 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sc 0 .30881 .5 .92 .0051 .0054 .0068 0 .0005 0 |
|
Y 0 .30881 .5 .08 .0051 .0054 .0068 0 .0005 0 |
|
Si .22319 0 -.09105 .98 .0051 .0063 .0048 0 .0003 0 |
|
Al .22319 0 -.09105 .02 .0051 .0063 .0048 0 .0003 0 |
|
O1 0 0 0 .0074 .0369 .0224 0 .0074 0 |
|
O2 .39182 0 .22124 .0075 .0074 .0055 0 -.0009 0 |
|
O3 .23532 .15709 -.28576 .0112 .0074 .0084 .0022 .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
|
| |
|
Geigerite |
|
Graeser S, Schwander H, Bianchi R, Pilati T, Gramaccioli C M |
|
American Mineralogist 74 (1989) 676-684 |
|
Geigerite, the Mn analogue of chudobaite: Its description and crystal structure |
|
_database_code_amcsd 0001248 |
|
7.944 10.691 6.770 80.97 84.20 81.85 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .36967 .36543 .40344 0.0085 0.0098 0.0076 -.0015 -.0004 -.0011 |
|
As2 -.03902 .33350 -.07716 0.0072 0.0061 0.0073 -.0008 -.0007 -.0008 |
|
Mn1 0 0 0 0.0150 0.0093 0.0176 -.0006 -.0021 -.0011 |
|
Mn2 .08271 .59557 .59920 0.0106 0.0102 0.0094 -.0011 -.0007 -.0018 |
|
Mn3 .36170 .43412 -.10853 0.0095 0.0117 0.0090 -.0018 -.0010 -.0014 |
|
O1 .1860 .3051 .3571 0.009 0.017 0.016 -.003 -.003 -.002 |
|
O2 .5037 .2372 .4864 0.013 0.012 0.019 .003 -.006 .001 |
|
O3 .4383 .4425 .1821 0.013 0.016 0.008 -.006 .000 .002 |
|
O4 .3152 .4618 .5776 0.012 0.013 0.009 -.001 -.002 -.003 |
|
O5 -.1173 .1969 -.0900 0.012 0.007 0.021 -.004 -.003 -.001 |
|
O6 -.0480 .4268 -.3016 0.015 0.010 0.007 -.004 -.004 .001 |
|
O7 .1677 .3102 -.0190 0.008 0.012 0.013 -.002 -.004 .001 |
|
O8 -.1525 .4094 .1035 0.011 0.012 0.011 .002 .001 -.003 |
|
O9 .1579 .7851 .5152 0.015 0.020 0.020 -.004 -.002 .001 |
|
O10 .5324 .2478 -.1198 0.014 0.019 0.021 .001 -.002 -.005 |
|
O11 .0863 .0436 .2751 0.032 0.026 0.026 -.008 -.004 -.009 |
|
O12 .2321 .0620 -.1616 0.024 0.020 0.061 -.006 .017 -.008 |
|
O13 .5542 -.0647 -.2428 0.032 0.041 0.067 .004 -.012 -.033 |
|
H1 .179 .310 .211 0.09 |
|
H91 .270 .778 .543 0.07 |
|
H92 .125 .805 .375 0.10 |
|
H101 .527 .227 -.234 0.10 |
|
H102 .636 .230 -.111 0.05 |
|
H111 .032 .074 .371 0.05 |
|
H112 .186 .056 .274 0.05 |
|
H121 .333 .033 -.191 0.11 |
|
H122 .241 .137 -.146 0.05 |
|
H131 .528 -.104 -.320 0.07 |
|
H132 .554 -.138 -.127 0.33 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fetiasite |
|
Graeser S, Schwander H, Demartin F, Gramaccioli C M, Pilati T, Reusser E |
|
American Mineralogist 79 (1994) 996-1002 |
|
Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description |
|
and structure determination |
|
Note: Sample B |
|
Locality: Legenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0001675 |
|
10.616 3.242 8.932 90 108.89 90 P2_1/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .41010 .25 .66453 .0094 .0109 .0101 0 .00359 0 |
|
As2 .24954 .25 .24816 .0101 .0106 .0114 0 .00416 0 |
|
Fe1 .04912 .25 .86648 .0115 .0101 .0131 0 .0045 0 |
|
Fe2 .64280 .25 .02237 .0080 .0087 .0107 0 .0031 0 |
|
Fe .88267 .25 .39356 .38 .0191 .0144 .0121 0 .0022 0 |
|
Ti .88267 .25 .39356 .58 .0191 .0144 .0121 0 .0022 0 |
|
O1 .0816 .25 .1159 .0100 .022 .020 0 .0027 0 |
|
O2 .3287 .25 .1036 .021 .021 .0194 0 .0135 0 |
|
O3 .8324 .25 .1586 .0081 .020 .0094 0 .0010 0 |
|
O4 .9928 .25 .6192 .0100 .043 .0100 0 .0021 0 |
|
O5 .4335 .25 .8722 .0082 .027 .0103 0 .0025 0 |
|
O6 .2347 .25 .5990 .010 .077 .015 0 .0034 0 |
|
O7 .7275 .25 .6763 .5 .021 .015 .014 0 .005 0 |
|
O8 .5518 .25 .3834 .5 .028 .024 .026 0 .014 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fetiasite |
|
Graeser S, Schwander H, Demartin F, Gramaccioli C M, Pilati T, Reusser E |
|
American Mineralogist 79 (1994) 996-1002 |
|
Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description |
|
and structure determination |
|
Note: Sample A |
|
Locality: Cervandone |
|
_database_code_amcsd 0001676 |
|
10.614 3.252 8.945 90 108.95 90 P2_1/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .40970 .25 .66474 .0088 .0095 .0088 0 .0027 0 |
|
As2 .24978 .25 .24797 .0093 .0100 .0104 0 .0032 0 |
|
Fe1 .04922 .25 .86648 .0113 .0102 .0123 0 .0039 0 |
|
Fe2 .64241 .25 .02199 .0072 .0084 .0096 0 .0021 0 |
|
Fe .88301 .25 .39371 .38 .0174 .0159 .0116 0 .0016 0 |
|
Ti .88301 .25 .39371 .54 .0174 .0159 .0116 0 .0016 0 |
|
O1 .0815 .25 .1156 .008 .024 .018 0 .000 0 |
|
O2 .3292 .25 .1035 .020 .023 .017 0 .010 0 |
|
O3 .8322 .25 .1581 .009 .022 .009 0 .0000 0 |
|
O4 .9930 .25 .6193 .010 .047 .009 0 .0016 0 |
|
O5 .4332 .25 .8726 .012 .027 .009 0 .0031 0 |
|
O6 .2348 .25 .5993 .013 .091 .014 0 .002 0 |
|
O7 .7279 .25 .6769 .5 .023 .012 .017 0 .005 0 |
|
O8 .5520 .25 .3827 .5 .033 .026 .020 0 .008 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aiolosite |
| |
Demartin F, Gramaccioli C M, Campostrini I, Pilati T |
| |
American Mineralogist 95 (2010) 382-385 |
|
Aiolosite, Na2(Na2Bi)(SO4)3Cl, a new sulfate isotypic to apatite |
|
from La Fossa Crater, Vulcano, Aeolian Islands, Italy |
|
Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily Italy |
|
_database_code_amcsd 0005030 |
|
9.626 9.626 6.880 90 90 120 P6_3/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 1/3 2/3 .0067 .0206 .0213 .0213 .0193 .0107 0 0 |
|
Na2 .2534 .9990 .25 .712 .0331 .0339 .0225 .0425 .0137 0 0 |
|
Bi .2534 .9990 .25 .288 .0331 .0339 .0225 .0425 .0137 0 0 |
|
S .4029 .3742 .25 .0201 .0195 .0187 .0219 .0095 0 0 |
|
O1 .3320 .4775 .25 .036 .048 .044 .032 .036 0 0 |
|
O2 .5776 .4664 .25 .058 .022 .032 .114 .010 0 0 |
|
O3 .3543 .2695 .0800 .064 .105 .061 .053 .060 -.046 -.033 |
|
Cl 0 0 0 .74 .087 |
|
Br 0 0 0 .07 .087 |
|
Wat 0 0 .25 .19 .08 .050 .050 .162 .025 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
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: Moos, Rauris, Austria |
|
Sample: 2 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005286 |
|
4.747 7.544 9.931 90 90.51 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .99946 .10780 .33018 .74 .00612 .00600 .00550 -.00075 -.00013 -.00029 |
|
Dy .99946 .10780 .33018 .19 .00612 .00600 .00550 -.00075 -.00013 -.00029 |
|
Ca .99946 .10780 .33018 .07 .00612 .00600 .00550 -.00075 -.00013 -.00029 |
|
Be .4567 .4151 .3359 .82 .006 .005 .006 .0010 .0012 .0000 |
|
B .4567 .4151 .3359 .18 .006 .005 .006 .0010 .0012 .0000 |
|
Fe 0 0 0 .66 .0065 .0083 .0059 .0014 .0005 -.0004 |
|
Si .5196 .2781 .07868 .0055 .0046 .0052 -.0003 .0005 -.0005 |
|
O1 .7603 .4127 .0307 .0071 .0091 .0090 .0008 .0005 -.0029 |
|
O2 .3245 .2870 .4513 .0085 .0083 .0068 .0027 -.0013 .0002 |
|
O3 .3064 .3468 .1958 .0080 .0104 .0062 -.0022 .0006 .0014 |
|
O4 .6865 .1072 .1437 .0094 .0060 .0090 .0004 -.0009 .0012 |
|
O5 .7944 .4116 .3324 .0069 .0113 .0087 -.0010 .0001 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: Beura, Ossola, Italy |
|
Sample: 3 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005287 |
|
4.743 7.568 9.900 90 90.41 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .00019 .10751 .33146 .69 .00710 .00715 .00644 -.00076 -.00007 -.00036 |
|
Dy .00019 .10751 .33146 .2 .00710 .00715 .00644 -.00076 -.00007 -.00036 |
|
Ca .00019 .10751 .33146 .11 .00710 .00715 .00644 -.00076 -.00007 -.00036 |
|
Be .4509 .4144 .3364 .68 .006 .007 .005 .001 .001 -.001 |
|
B .4509 .4144 .3364 .32 .006 .007 .005 .001 .001 -.001 |
|
Fe 0 0 0 .5 .0067 .0090 .0080 .0014 .0005 .0001 |
|
Si .5200 .2762 .07938 .0063 .0055 .0059 -.0002 .0004 .0001 |
|
O1 .7604 .4119 .0319 .0081 .0101 .0110 .0003 .0004 -.0023 |
|
O2 .3250 .2886 .4519 .0113 .0103 .0087 .0021 -.0022 -.0004 |
|
O3 .3070 .3458 .1972 .0095 .0126 .0076 -.0006 .0018 .0027 |
|
O4 .6864 .1054 .1448 .0113 .0081 .0111 .0006 -.0016 .0032 |
|
O5 .7876 .4118 .3326 .0080 .0129 .0101 -.0014 .0002 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: Val Nalps, Switzerland |
|
Sample: 6 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005288 |
|
4.746 7.562 9.903 90 90.48 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .00027 .10773 .33093 .71 .00677 .00668 .00639 -.00085 -.00008 -.00021 |
|
Dy .00027 .10773 .33093 .14 .00677 .00668 .00639 -.00085 -.00008 -.00021 |
|
Ca .00027 .10773 .33093 .15 .00677 .00668 .00639 -.00085 -.00008 -.00021 |
|
Be .4534 .4144 .3362 .67 .005 .006 .005 .001 .000 .000 |
|
B .4534 .4144 .3362 .33 .005 .006 .005 .001 .000 .000 |
|
Fe 0 0 0 .54 .0076 .0094 .0072 .0007 .0005 -.0002 |
|
Si .5205 .2763 .07928 .0061 .0050 .0059 -.0004 .0005 -.0001 |
|
O1 .7599 .4117 .0317 .0085 .0080 .0110 .0006 .0006 -.0022 |
|
O2 .3250 .2879 .4514 .0108 .0093 .0078 .0010 -.0015 -.0010 |
|
O3 .3074 .3459 .1967 .0089 .0118 .0082 -.0011 .0027 .0022 |
|
O4 .6848 .1053 .1444 .0113 .0066 .0106 .0003 -.0015 .0031 |
|
O5 .7893 .4116 .3322 .0083 .0137 .0095 -.0016 .0005 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: "Strada", Val Vigezzo, Italy |
|
Sample: 7 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005289 |
|
4.759 7.564 9.968 90 90.43 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .99974 .10810 .32924 .79 .00629 .00670 .00682 -.00088 -.00036 -.00030 |
|
Dy .99974 .10810 .32924 .18 .00629 .00670 .00682 -.00088 -.00036 -.00030 |
|
Ca .99974 .10810 .32924 .03 .00629 .00670 .00682 -.00088 -.00036 -.00030 |
|
Be .4595 .4142 .3356 .91 .005 .004 .006 .0000 .0014 .0002 |
|
B .4595 .4142 .3356 .09 .005 .004 .006 .0000 .0014 .0002 |
|
Fe 0 0 0 .76 .0067 .0104 .0068 .0018 .0007 .0005 |
|
Si .5189 .27818 .07832 .0057 .0051 .0062 -.0002 .0007 .0001 |
|
O1 .7608 .4130 .0308 .0085 .0085 .0099 .0016 .0013 -.0020 |
|
O2 .3249 .2863 .4514 .0079 .0083 .0072 .0019 -.0011 -.0004 |
|
O3 .3081 .3475 .1954 .0065 .0116 .0069 -.0022 .0013 .0025 |
|
O4 .6851 .1071 .1427 .0093 .0053 .0111 .0010 -.0012 .0015 |
|
O5 .7967 .4124 .3325 .0059 .0122 .0111 -.0006 .0012 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: "Bosco", Val Vigezzo, Italy |
|
Sample: 8 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005290 |
|
4.743 7.518 9.933 90 90.52 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .99942 .10771 .32927 .87 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
|
Dy .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
|
Ca .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
|
Be .4610 .4138 .3358 .88 .004 .005 .0057 .0004 .0004 .0002 |
|
B .4610 .4138 .3358 .12 .004 .005 .0057 .0004 .0004 .0002 |
|
Fe 0 0 0 .82 .0039 .0051 .0041 .0012 .0003 .0006 |
|
Si .5187 .27884 .07826 .0027 .0025 .0034 .0000 .0003 .0000 |
|
O1 .7606 .4138 .0303 .0050 .0048 .0068 .0015 .0004 -.0018 |
|
O2 .3234 .2868 .4513 .0043 .0055 .0059 .0022 -.0010 -.0011 |
|
O3 .3071 .3469 .1954 .0059 .0072 .0054 -.0017 .0013 .0014 |
|
O4 .6858 .1073 .1429 .0051 .0046 .0073 .0006 -.0006 .0007 |
|
O5 .7960 .4125 .3324 .0044 .0081 .0066 -.0009 .0005 .0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: Monte Bassetta, Val Vigezzo, Italy |
|
Sample: 9 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005291 |
|
4.757 7.553 9.970 90 90.50 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .99938 .10743 .32947 .75 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
|
Dy .99938 .10743 .32947 .23 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
|
Ca .99938 .10743 .32947 .02 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
|
Be .4595 .4138 .3352 .91 .006 .006 .004 .001 .0007 .000 |
|
B .4595 .4138 .3352 .09 .006 .006 .004 .001 .0007 .000 |
|
Fe 0 0 0 .78 .0079 .0129 .0077 .0022 .0004 .0004 |
|
Si .5190 .27853 .07821 .0077 .0064 .0075 -.0003 .0007 -.0003 |
|
O1 .7610 .4135 .0304 .0097 .0091 .0117 .0026 .0001 -.0028 |
|
O2 .3244 .2868 .4512 .0088 .0096 .0087 .0032 -.0015 -.0011 |
|
O3 .3074 .3475 .1951 .0086 .0123 .0086 -.0021 .0012 .0019 |
|
O4 .6864 .1068 .1427 .0105 .0068 .0115 .0010 -.0017 .0014 |
|
O5 .7960 .4127 .3321 .0081 .0134 .0118 -.0008 .0014 -.0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
The Canadian Mineralogist 31 (1993) 127-136 |
|
A crystal-chemical investigation of alpine gadolinite |
|
Locality: Glogstafelberg, Val Formazza, Italy |
|
Sample: 10 |
|
Note: structure from ICSD |
|
_database_code_amcsd 0005292 |
|
4.752 7.629 9.894 90 90.24 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .00074 .11045 .33186 .5 .00558 .00571 .00563 -.00072 .00013 -.00014 |
|
Gd .00074 .11045 .33186 .36 .00558 .00571 .00563 -.00072 .00013 -.00014 |
|
Ca .00074 .11045 .33186 .14 .00558 .00571 .00563 -.00072 .00013 -.00014 |
|
Be .4445 .4157 .3376 .72 .009 .008 .009 .000 .000 .000 |
|
B .4445 .4157 .3376 .28 .009 .008 .009 .000 .000 .000 |
|
Fe 0 0 0 .22 .008 .009 .008 -.001 .001 -.002 |
|
Si .5189 .2754 .08016 .0067 .0062 .0056 -.0001 .0009 -.0002 |
|
O1 .7595 .4112 .0338 .0078 .0095 .0116 .0020 -.0001 -.0010 |
|
O2 .3271 .2872 .4522 .0103 .0124 .0087 .0026 -.0022 -.0001 |
|
O3 .3046 .3457 .1967 .0094 .0137 .0076 .0002 .0009 .0032 |
|
O4 .6839 .1081 .1465 .013 .0089 .0128 .0014 -.0002 .0010 |
|
O5 .7855 .4123 .3328 .0080 .015 .0099 -.0012 -.0007 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arrojadite-(BaFe) |
| |
Demartin F, Gramaccioli C M, Pilati T, Sciesa E |
|
The Canadian Mineralogist 34 (1996) 827-834 |
|
Sigismundite, (Ba,K,Pb)Na3(Ca,Sr)(Fe,Mg,Mn)14Al(OH)2(PO4)12, a new |
|
Ba-rich member of the arrojadite group from Spluga Valley, Italy |
|
Locality: Spluga Valley, Italy |
|
_database_code_amcsd 0005505 |
|
16.406 9.945 24.470 90 105.73 90 C2/c |
|
atom x y z occ Biso |
|
Al 0 .5 0 .5 .51 |
|
CaX1 .2299 .2192 .4832 .47 2.27 |
|
SrX1 .2299 .2192 .4832 .12 2.27 |
|
NaX2 .1345 .5171 .1206 3.3 |
|
NaX3 0 0 0 .5 1.9 |
|
NaX4 0 .014 .25 .080 1.1 |
|
NaX4x 0 .116 .25 .050 1.0 |
|
BaX5 0 .4990 .25 .38 1.90 |
|
KX5 0 .4990 .25 .06 1.90 |
|
PbX5 0 .4990 .25 .03 1.90 |
|
SrX5 0 .4990 .25 .01 1.90 |
|
FeM1 .2231 .8881 .4768 .25 1.31 |
|
MgM1 .2231 .8881 .4768 .18 1.31 |
|
FeM1x .205 .948 .4545 .07 1.7 |
|
MgM1x .205 .948 .4545 .05 1.7 |
|
FeM2 .2118 .0138 .26768 .49 .99 |
|
MgM2 .2118 .0138 .26768 .35 .99 |
|
FeM3 .1071 .0165 .1404 .30 .85 |
|
MgM3 .1071 .0165 .1404 .22 .85 |
|
FeM4 .0215 .2509 .4023 .40 .99 |
|
MgM4 .0215 .2509 .4023 .29 .99 |
|
FeM5 .0338 .7449 .40019 .52 .86 |
|
MgM5 .0338 .7449 .40019 .38 .86 |
|
FeM6 .2036 .7014 .35236 .52 1.08 |
|
MgM6 .2036 .7014 .35236 .38 1.08 |
|
FeM7 .2180 .2930 .3432 .46 1.31 |
|
MgM7 .2180 .2930 .3432 .33 1.31 |
|
P1 .1156 .0109 .3689 .620 .80 |
|
P1x .0802 .0005 .3349 .380 .9 |
|
P2 .1299 .4648 .4234 .78 |
|
P3 .1265 .2510 .0395 .66 |
|
P4 .1033 .7678 .0486 .67 |
|
P5 .1294 .7269 .2128 .66 |
|
P6 .1431 .3005 .2061 .75 |
|
O1 .0255 .0653 .3675 1.2 |
|
O2 .1115 -.1389 .3630 1.2 |
|
O3 .1480 .0808 .3245 2.3 |
|
O4 .1808 .042 .4254 .620 1.5 |
|
O4x .023 -.036 .271 .380 1.9 |
|
O5 .0500 .4412 .4443 .8 |
|
O6 .1199 .5963 .3901 1.4 |
|
O7 .1289 .3424 .3851 1.0 |
|
O8 .2096 .4608 .4716 1.8 |
|
O9 .0841 .1684 .0768 .9 |
|
O10 .0959 .3968 .0369 .7 |
|
O11 .1076 .1883 -.0193 .8 |
|
O12 .2249 .2522 .0654 1.3 |
|
O13 .0459 .6438 .0489 .7 |
|
O14 .0667 .8723 .0814 .9 |
|
O15 .0969 .8160 -.0109 1.2 |
|
O16 .1950 .7326 .0778 .3 |
|
O17 .0474 .6742 .1719 .8 |
|
O18 .1324 .6760 .2718 .0 |
|
O19 .1330 .8816 .2108 .6 |
|
O20 .2050 .6707 .1941 .0 |
|
O21 .0589 .3476 .1663 .2 |
|
O22 .1490 .3545 .2654 .8 |
|
O23 .1493 .1461 .2058 .9 |
|
O24 .2178 .3579 .1856 1.4 |
|
O25 .2304 -.0024 .1389 1.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bazzite |
|
Demartin F, Gramaccioli C M, Pilati T |
|
The Canadian Mineralogist 38 (2000) 1419-1424 |
|
Structure refinement of bazzite from pegmatitic and miarolitic occurrences |
|
Locality: Baveno granite, Piemonte, Italy |
|
_database_code_amcsd 0005699 |
|
9.549 9.549 9.163 90 90 120 P6/mcc |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
ScA 2/3 1/3 1/4 .76 .47 .0055 .0055 .0070 .00275 0 0 |
|
FeA 2/3 1/3 1/4 .24 .47 .0055 .0055 .0070 .00275 0 0 |
|
Si .37412 .09916 0 .40 .0052 .0044 .0056 .0024 0 0 |
|
Cs 0 0 1/4 .10 2.69 .0384 .0384 .0255 .0192 0 0 |
|
Wat 0 0 1/4 .90 2.69 .0384 .0384 .0255 .0192 0 0 |
|
Na 0 0 0 .44 1.72 .0157 .0157 .0339 .00785 0 0 |
|
O1 .3006 .2192 0 .84 .0117 .0095 .0134 .0073 0 0 |
|
O2 .4819 .1288 .1447 .70 .0111 .0085 .0077 .0054 -.0038 -.0012 |
|
Be 1/2 1/2 1/4 .53 .0066 .0066 .0060 .0025 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
|
| |
|
Bazzite |
|
Demartin F, Gramaccioli C M, Pilati T |
|
The Canadian Mineralogist 38 (2000) 1419-1424 |
|
Structure refinement of bazzite from pegmatitic and miarolitic occurrences |
|
Locality: Tordal, Norway |
|
_database_code_amcsd 0005700 |
|
9.555 9.555 9.160 90 90 120 P6/mcc |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
ScA 2/3 1/3 1/4 .68 .52 .0065 .0065 .0068 .00375 0 0 |
|
FeA 2/3 1/3 1/4 .26 .52 .0065 .0065 .0068 .00375 0 0 |
|
AlA 2/3 1/3 1/4 .06 .52 .0065 .0065 .0068 .00375 0 0 |
|
Si .37370 .09899 0 .38 .0051 .0045 .0048 .0024 0 0 |
|
Cs 0 0 1/4 .14 2.45 .0344 .0344 .0242 .0172 0 0 |
|
Wat 0 0 1/4 .86 2.45 .0344 .0344 .0242 .0172 0 0 |
|
Na 0 0 0 .36 1.76 .0176 .0176 .0317 .0088 0 0 |
|
O1 .2998 .2186 0 .92 .0136 .0100 .0151 .0087 0 0 |
|
O2 .4813 .1286 .1445 .79 .0125 .0098 .0084 .0059 -.0042 -.0013 |
|
Be 1/2 1/2 1/4 .97 .66 .0091 .0091 .0079 .0053 0 0 |
|
Li 1/2 1/2 1/4 .03 .66 .0091 .0091 .0079 .0053 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
|
| |
|
Orlandiite |
|
Demartin F, Gramaccioli C M, Pilati T |
|
The Canadian Mineralogist 41 (2003) 1147-1153 |
|
The crystal structure of orlandiite, Pb3Cl4(SeO3).H2O, a complex case |
|
of twinning and disorder |
|
_database_code_amcsd 0005881 |
|
8.136 8.430 9.233 62.58 71.84 75.13 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) |
|
Pb3 .5689 .6062 .7553 .75 .0384 .0106 .0730 .0149 -.0004 -.0021 -.0077 |
|
Pb’3 .5689 .1048 .7543 .25 .0549 .0441 .0829 .0173 -.0036 -.0180 .0007 |
|
Se(a) .4904 .8685 .3860 .375 .0115 .0117 .0105 .0101 -.0008 -.0010 -.0037 |
|
Se(b) .4926 .7532 .3850 .375 .0128 .0094 .0217 .0079 -.0028 -.0016 -.0065 |
|
Se’(a) .5042 .6413 .6178 .125 .0253 |
|
Se’(b) .5128 .7443 .6167 .125 .0218 |
|
Pb1 .11376 -.00862 .71741 .0238 .0220 .0242 .0243 -.0017 -.0074 -.0086 |
|
Pb2 .12075 .48200 .71678 .0247 .0237 .0260 .0249 -.0009 -.0078 -.0109 |
|
Cl1 .19243 .09558 .96161 .0251 .0240 .0274 .0215 -.0045 -.0035 -.0086 |
|
Cl2 .19225 .60008 .95409 .0222 .0161 .0258 .0187 -.0026 .0003 -.0072 |
|
Cl3 -.13721 .33192 .65464 .0237 .0240 .0212 .0202 .0010 -.0023 -.0076 |
|
Cl4 .13242 .16944 .34662 .0221 .0210 .0287 .0191 -.0081 -.0060 -.0087 |
|
Wat .4992 .7555 .9967 .0668 .0350 .0533 .1313 -.0115 .0000 -.0633 |
|
O1a .6710 .7415 .4332 .0362 |
|
O2a .5742 .0638 .3343 .50 .0267 |
|
O2b .5657 .5653 .3347 .50 .0118 |
|
O3a .3685 .8144 .5799 .50 .0239 |
|
O3b .3661 .6707 .5796 .50 .0281 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tiragalloite |
|
Gramaccioli C M, Pilati T, Liborio G |
 |
Acta Crystallographica B35 (1979) 2287-2291 |
|
Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: |
|
The presence of a new tetrapolyphosphate-like anion |
|
Locality: Molinello, near Chiavari, Liguria, |
|
Note: Displacement parameters taken from ICSD |
|
_database_code_amcsd 0009690 |
|
6.66 19.92 7.67 90 95.7 90 P2_1/n |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn1 .25844 .64836 -.14601 .00172 .00020 .00443 .00014 -.00023 .00003 |
|
Mn2 -.45780 .58376 .54669 .00139 .00023 .00431 -.00003 .00036 -.00005 |
|
Mn3 .76253 .50915 .24515 .00239 .00037 .00457 -.00040 .00010 -.00037 |
|
Mn4 .05246 .74596 .13942 .00204 .00026 .00506 .00008 .00006 -.00015 |
|
As .43066 .30163 -.21252 .00334 .00044 .00538 -.00005 .00017 .00006 |
|
Si1 .23118 .36790 .08072 .00292 .00028 .00554 .00008 .00041 -.00022 |
|
Si2 .26741 .52059 .16158 .00276 .00029 .00524 .00001 -.00014 .00001 |
|
Si3 .04814 .59788 .44013 .00283 .00039 .00521 .00005 -.00009 .00005 |
|
O1 .27074 .23802 -.18296 .0044 .00046 .00671 -.00021 .00078 -.00006 |
|
O2 .45977 .31980 -.42138 .0092 .00047 .00579 .00022 .00162 .00013 |
|
O3 .64941 .28926 -.09053 .0030 .00098 .00687 .00052 -.00087 -.00026 |
|
O4 .31652 .36999 -.12036 .0035 .00045 .00538 -.00029 .00063 -.00004 |
|
O5 .03333 .32369 .07199 .0060 .00033 .00577 -.00053 .00029 -.00037 |
|
O6 .41456 .34321 .21941 .0040 .00039 .00533 -.00023 .00070 .00034 |
|
O7 .17699 .44584 .11549 .0023 .00019 .0092 -.00003 -.00013 -.00045 |
|
O8 .30120 .55324 -.02563 .0049 .00052 .00438 .00022 -.00045 .00025 |
|
O9 .45704 .51577 .30760 .0036 .00029 .00533 .00014 -.00028 .00025 |
|
O10 .08685 .55831 .25473 .0030 .00063 .00481 .00061 -.00041 .00021 |
|
O11 .04933 .67785 .38415 .0068 .00026 .00821 -.00056 -.00105 .00008 |
|
O12 .22133 .58601 .60057 .0026 .00048 .00583 -.00029 -.00032 .00007 |
|
O13 -.16437 .56880 .47657 .0049 .00059 .00598 -.00037 .00055 -.00022 |
|
H .14 .71 .45 3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Medaite |
|
Gramaccioli C M, Liborio G, Pilati T |
|
Acta Crystallographica B37 (1981) 1972-1978 |
|
Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of |
|
heteropolysilicate anion |
|
Locality: Molinello, Chavari, Liguria, Italy |
|
Note: anisoB's from ICSD |
|
_database_code_amcsd 0009748 |
|
6.712 28.948 7.578 90 95.40 90 P2_1/n |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn1 .3700 .02239 .1546 .962 .67 .0013 .00041 .0049 .00002 .0011 -.00005 |
|
Ca1 .3700 .02239 .1546 .032 .67 .0013 .00041 .0049 .00002 .0011 -.00005 |
|
Fe1 .3700 .02239 .1546 .058 .67 .0013 .00041 .0049 .00002 .0011 -.00005 |
|
Mn2 .6808 .31736 .0237 .962 .69 .0023 .00039 .0048 -.00003 .0012 -.00005 |
|
Ca2 .6808 .31736 .0237 .032 .69 .0023 .00039 .0048 -.00003 .0012 -.00005 |
|
Fe2 .6808 .31736 .0237 .058 .69 .0023 .00039 .0048 -.00003 .0012 -.00005 |
|
Mn3 .4556 .13625 .2214 .962 .67 .0013 .00042 .0049 -.00006 .0012 -.00004 |
|
Ca3 .4556 .13625 .2214 .032 .67 .0013 .00042 .0049 -.00006 .0012 -.00004 |
|
Fe3 .4556 .13625 .2214 .058 .67 .0013 .00042 .0049 -.00006 .0012 -.00004 |
|
Mn4 .6687 .08683 .9182 .962 .75 .0019 .00044 .0053 -.00011 .0011 -.00013 |
|
Ca4 .6687 .08683 .9182 .032 .75 .0019 .00044 .0053 -.00011 .0011 -.00013 |
|
Fe4 .6687 .08683 .9182 .058 .75 .0019 .00044 .0053 -.00011 .0011 -.00013 |
|
Mn5 .1412 .07642 .4413 .962 .94 .0035 .00053 .0062 -.00004 .0011 -.00015 |
|
Ca5 .1412 .07642 .4413 .032 .94 .0035 .00053 .0062 -.00004 .0011 -.00015 |
|
Fe5 .1412 .07642 .4413 .058 .94 .0035 .00053 .0062 -.00004 .0011 -.00015 |
|
Mn6 .4742 .25294 .3087 .962 .83 .0027 .00046 .0060 -.00001 .0014 .00010 |
|
Ca6 .4742 .25294 .3087 .032 .83 .0027 .00046 .0060 -.00001 .0014 .00010 |
|
Fe6 .4742 .25294 .3087 .058 .83 .0027 .00046 .0060 -.00001 .0014 .00010 |
|
V .4926 .21363 .8804 .815 .88 .0030 .00049 .0061 -.00002 .0014 -.00001 |
|
As .4926 .21363 .8804 .185 .88 .0030 .00049 .0061 -.00002 .0014 -.00001 |
|
Si1 .6940 .16672 .5892 .88 .0025 .00049 .0066 -.00011 .0014 .00005 |
|
Si2 .6415 .06220 .5159 .80 .0023 .00046 .0057 .00011 .0012 -.00001 |
|
Si3 .8652 .01208 .2289 .86 .0024 .00049 .0061 .00002 .0011 -.00001 |
|
Si4 .8158 -.09403 .1653 .83 .0023 .00049 .0057 -.00007 .0014 .00002 |
|
Si5 .0371 -.14571 -.1141 .84 .0018 .00050 .0062 .00001 .0013 .00004 |
|
O1 .6544 .25772 .8557 1.05 .0053 .00050 .0073 -.00008 .0021 -.00019 |
|
O2 .4569 .20238 .0889 1.09 .0068 .00048 .0071 -.00025 .0022 .00011 |
|
O3 .2796 .22463 .7593 1.17 .0045 .00067 .0074 .00026 .0016 -.00030 |
|
O4 .6062 .16425 .7890 1.06 .0048 .00062 .0062 -.00025 .0022 -.00014 |
|
O5 .5124 .18469 .4500 1.08 .0054 .00065 .0055 .00024 .0025 0 |
|
O6 .8896 .19857 .6003 .91 .0025 .00047 .0073 -.00033 .0010 .00000 |
|
O7 .7529 .11262 .5523 1.07 .0037 .00054 .0079 -.00004 .0003 -.00006 |
|
O8 .4475 .06913 .3759 1.03 .0041 .00061 .0061 -.00028 .0018 -.00017 |
|
O9 .5989 .04201 .7042 .95 .0028 .00056 .0063 .00018 .0012 .00006 |
|
O10 .8053 .03026 .4235 1.05 .0042 .00060 .0062 .00038 .0000 -.00012 |
|
O11 .0747 .03697 .2093 1.00 .0025 .00049 .0088 -.00033 .0019 -.00021 |
|
O12 .6854 .02299 .0754 .87 .0033 .00049 .0057 .00008 .0013 .00018 |
|
O13 .8978 -.04393 .2448 .95 .0025 .00043 .0084 -.00030 .0005 -.00028 |
|
O14 .6306 -.09027 .0132 .86 .0020 .00055 .0057 .0006 .0015 .00006 |
|
O15 .7787 -.12081 .3443 1.04 .0064 .00049 .0062 -.00006 .0010 .00011 |
|
O16 .0031 -.11675 .0684 .91 .0028 .00053 .0062 .00013 .0015 -.00011 |
|
O17 .2526 -.12771 -.1532 1.01 .0028 .00063 .0067 -.00016 .0020 -.00024 |
|
O18 .8647 -.13917 -.2766 .90 .0039 .00052 .0052 -.00008 .0009 -.00001 |
|
O19 .0326 -.20096 -.0516 1.30 .0108 .00055 .0064 -.00008 .0012 -.00011 |
|
H .967 -.215 -.159 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andradite |
|
Pilati T, Demartin F, Gramaccioli C M |
|
Acta Crystallographica B52 (1996) 239-250 |
|
Atomic displacement parameters for garnets: A lattice-dynamical evaluation |
|
Locality: Val Malenco, Italy |
|
_database_code_amcsd 0009894 |
|
12.0643 12.0643 12.0643 90 90 90 Ia3d |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaX .125 0 .25 .445 .0039 .0065 .0065 0 0 .0013 |
|
FeY 0 0 0 .3214 .0041 .0041 .0041 -.0001 -.0001 -.0001 |
|
SiZ .375 0 .25 .283 .0034 .0037 .0037 0 0 0 |
|
O .03932 .04863 .65537 .421 .0053 .0061 .0046 .0004 -.0007 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spessartine |
|
Gramaccioli C M, Pilati T, Demartin F, |
|
Acta Crystallographica B58 (2002) 965-969 |
|
Atomic displacement parameters for spessartine Mn3Al2Si3O12 |
|
and their lattice-dynamical interpretation |
|
Locality: Elba Isle, Campo, Italy |
|
_database_code_amcsd 0009927 |
|
11.630 11.630 11.630 90 90 90 Ia3d |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
AlY 0 0 0 .350 .00443 .00443 .00443 -.00030 -.00030 -.00030 |
|
MnX 0 .25 .125 .611 .00923 .00923 .00476 .00174 0 0 |
|
SiZ .375 0 .25 .307 .00350 .00407 .00407 0 0 0 |
|
O .03473 .04789 .65210 .420 .00540 .00620 .00430 .00050 -.00050 -.00040 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Soddyite |
|
Demartin F, Gramaccioli C M, Pilati T |
|
Acta Crystallographica C48 (1992) 1-4 |
|
The importance of accurate crystal structure determination |
|
of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O |
|
Locality: Democratic Republic of the Congo |
|
_database_code_amcsd 0010268 |
|
8.334 11.212 18.668 90 90 90 *Fddd |
|
.125 .125 .125 |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .375 .375 .04413 .814 .0107 .0100 .0102 -.0039 0 0 |
|
Si .125 .125 .125 .86 .014 .007 .011 0 0 0 |
|
O1 .5522 .2862 .0454 1.47 .015 .021 .020 .003 .000 .002 |
|
O2 .2243 .2063 .0677 1.27 .018 .015 .016 -.008 -.001 .001 |
|
Ow3 .375 .375 .1730 2.3 .030 .039 .018 -.009 0 0 |
|
H .30 .394 .193 4.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Paraniite-(Y) |
|
Demartin F, Gramaccioli C M, Pilati T |
|
Acta Crystallographica C48 (1992) 1357-1359 |
|
Structure of a new natural tungstate arsenate, [Ca2Y(AsO4)(WO4)2], structurally |
|
related to scheelite |
|
Locality: Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy |
|
Note: anisoU's from ICSD |
|
_database_code_amcsd 0010274 |
|
5.135 5.135 33.8820 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5 .25 .04167 .0125 .0136 .0149 .0091 .0035 0 0 |
|
Y 0 .25 .125 .00898 .0108 .0108 .0052 0 0 0 |
|
As .5 .75 .125 .00842 .0103 .0103 .0047 0 0 0 |
|
W 0 .75 .04679 .01032 .01106 .00951 .01038 .0015 0 0 |
|
O1 .2437 .8853 .0160 .0171 .020 .020 .011 .001 .002 -.001 |
|
O2 .1559 .4784 .0705 .0158 .015 .019 .013 .000 .000 .002 |
|
O3 .3220 -.0340 .0977 .0205 .025 .023 .014 .007 .000 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Benyacarite |
|
Demartin F, Pilati T, Gay H D, Gramaccioli C M |
|
Zeitschrift fur Kristallographie 208 (1993) 57-71 |
|
The crystal structure of a mineral related to paulkerrite |
|
Locality: granitic pegmatites in Cerro Blanco, Tanti, Cordoba, Argentina |
|
_database_code_amcsd 0011061 |
|
10.561 20.585 12.516 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnM1 .5033 .24517 .23961 .75 .0162 .0166 .0115 .0204 -.0014 .0018 .0017 |
|
FeM1 .5033 .24517 .23961 .21 .0162 .0166 .0115 .0204 -.0014 .0018 .0017 |
|
MgM1 .5033 .24517 .23961 .04 .0162 .0166 .0115 .0204 -.0014 .0018 .0017 |
|
FeM2 .6625 -.00457 .26007 .68 .0123 .0081 .0134 .0155 -.0014 .0007 -.0031 |
|
TiM2 .6625 -.00457 .26007 .28 .0123 .0081 .0134 .0155 -.0014 .0007 -.0031 |
|
AlM2 .6625 -.00457 .26007 .07 .0123 .0081 .0134 .0155 -.0014 .0007 -.0031 |
|
Ti .5 .5 0 .0128 .0173 .0142 .0070 .000 -.0051 .0002 |
|
P1 .4152 .0894 .2940 .0132 .016 .0137 .0100 -.002 -.002 -.0001 |
|
P2 .5892 .4027 .1965 .0104 .0074 .0141 .0096 .0016 -.0004 .0005 |
|
F .1434 .5030 .5970 .40 .033 .029 .042 .028 .003 -.001 .002 |
|
OH .1434 .5030 .5970 .60 .033 .029 .042 .028 .003 -.001 .002 |
|
OK .7802 .1481 .9454 .78 .047 .051 .036 .054 .014 -.007 .018 |
|
K .7802 .1481 .9454 .16 .047 .051 .036 .054 .014 -.007 .018 |
|
O1 .4054 .1629 .2853 .022 .027 .018 .022 .002 .003 .001 |
|
O2 .5333 .0646 .2363 .019 .018 .024 .016 .000 .000 .000 |
|
O3 .4174 .0683 .4119 .019 .023 .022 .013 .002 -.001 .001 |
|
O4 .2954 .0616 .2402 .018 .014 .021 .019 -.004 -.004 .000 |
|
O5 .5939 .3293 .1906 .021 .020 .018 .024 .002 -.003 -.002 |
|
O6 .4709 .4261 .2581 .015 .014 .020 .011 .003 .004 .005 |
|
O7 .5894 .4307 .0826 .020 .017 .030 .013 .007 .000 .002 |
|
O8 .7087 .4261 .2549 .020 .018 .024 .017 -.004 -.005 -.001 |
|
O9 .6503 .1869 .1761 .037 .028 .026 .056 .001 -.009 -.008 |
|
O10 .4172 .2401 .0779 .031 .037 .025 .031 .005 -.003 .003 |
|
O11 .3544 .3044 .3072 .033 .026 .022 .051 .006 .012 .003 |
|
O12 .5926 .2500 .3962 .037 .035 .042 .033 .002 -.001 .003 |
|
O13 .1624 .5050 .9120 .022 .019 .030 .017 -.004 -.005 .006 |
|
O14 .2394 .1405 .0602 .047 .081 .036 .023 -.024 -.018 .007 |
|
O15 .0306 .4059 .0091 .053 .061 .047 .052 .006 .019 .004 |
|
H9a .6406 .1483 .1953 .05 |
|
H9b .75 .1816 .1953 .05 |
|
H10a .3887 .2832 .0820 .05 |
|
H11a .3594 .3495 .3046 .05 |
|
H11b .2773 .3163 .3339 .05 |
|
H12a .6406 .1992 .4180 .05 |
|
H12b .5565 .25 .4727 .05 |
|
H13a .6406 .0332 .0566 .05 |
|
H13b .7227 .0010 .0293 .05 |
|
H14a .75 .0996 .3887 .05 |
|
H14b .6934 .1172 .4707 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
