|
Hulsite |
 |
Konnert J A, Appleman D E, Clark J R, Finger L W, Kato T, Miura Y |
 |
American Mineralogist 61 (1976) 116-122 |
|
Crystal structure and cation distribution of hulsite, a tin-iron borate |
|
_database_code_amcsd 0000497 |
|
10.695 3.102 5.432 90 94.2 90 P2/m |
|
atom x y z occ Biso |
|
Sn 0 .0 0 .20 .14 |
|
Fe1 0 .0 0 .27 .14 |
|
Fe2 .5 .0 .5 .50 .11 |
|
Fe3 .5 .0 0 .50 .21 |
|
Fe4 0 .5 .5 .36 .11 |
|
Mg4 0 .5 .5 .16 .11 |
|
Fe5 .2747 .5 .2187 .50 .17 |
|
Mg5 .2747 .5 .2187 .48 .17 |
|
B1 .241 0 .711 .18 |
|
O1 .112 0 .697 .42 |
|
O2 .305 0 .502 .59 |
|
O3 .305 0 .943 .30 |
|
O4 .091 .5 .187 .37 |
|
O5 .469 .5 .246 .32 |
|
|
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|
| |
|
Natroapophyllite |
|
Miura Y, Kato T, Rucklidge J C, Matsueda H |
|
American Mineralogist 66 (1981) 410-423 |
|
Natroapophyllite, a new orthorhombic sodium analog of apophyllite |
|
II. Crystal structure |
|
_database_code_amcsd 0000829 |
|
8.875 8.881 15.79 90 90 90 Pnnm |
|
atom x y z Biso |
|
Si1 .2289 .0833 .1890 1.12 |
|
Si2 .4161 .2708 .3108 1.13 |
|
Ca1 .1143 .2465 0 1.20 |
|
Ca2 .7537 .1148 0 1.25 |
|
Na 0 0 .5 2.84 |
|
F 0 0 0 1.87 |
|
O1 .3671 .1322 .2513 1.36 |
|
O2 .0882 .1902 .2162 1.63 |
|
O21 .3099 .4123 .2839 1.59 |
|
O3 .2696 .0987 .0921 1.75 |
|
O31 .4016 .2305 .4079 1.66 |
|
O4 .2286 .4505 .0887 2.45 |
|
O41 .5502 .2253 .0890 2.70 |
|
H1 .47 .17 .05 1.60 |
|
H11 .17 .54 .08 1.40 |
|
H2 .16 .43 .14 0.80 |
|
H21 .56 .31 .14 3.20 |
|
|
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|
| |
|
Apophyllite-(NaF) |
|
Miura Y, Kato T, Rucklidge J C, Matsueda H |
|
American Mineralogist 66 (1981) 410-423 |
|
Natroapophyllite, a new orthorhombic sodium analog of apophyllite |
|
II. Crystal structure |
|
_database_code_amcsd 0000830 |
|
8.875 8.881 15.79 90 90 90 Pnnm |
|
atom x y z Biso |
|
Si1 .2289 .0833 .1890 1.12 |
|
Si2 .4161 .2708 .3108 1.13 |
|
Ca1 .1143 .2465 0 1.20 |
|
Ca2 .7537 .1148 0 1.25 |
|
Na 0 0 .5 2.84 |
|
F 0 0 0 1.87 |
|
O1 .3671 .1322 .2513 1.36 |
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O2 .0882 .1902 .2162 1.63 |
|
O21 .3099 .4123 .2839 1.59 |
|
O3 .2696 .0987 .0921 1.75 |
|
O31 .4016 .2305 .4079 1.66 |
|
O4 .2286 .4505 .0887 2.45 |
|
O41 .5502 .2253 .0890 2.70 |
|
H1 .47 .17 .05 1.60 |
|
H11 .17 .54 .08 1.40 |
|
H2 .16 .43 .14 0.80 |
|
H21 .56 .31 .14 3.20 |
|
|
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|
| |
|
Orthopinakiolite |
|
Takeuchi Y, Haga N, Kato T, Miura Y |
|
The Canadian Mineralogist 16 (1978) 475-485 |
|
Orthopinakiolite, Me2.95O2[BO3]: its crystal structure |
|
and relationship to pinakiolite, Me2.90O2[BO3] |
|
Note: z-coordinate of O9 changed. y-coordinate of M7* changed. |
|
_database_code_amcsd 0005157 |
|
18.357 12.591 6.068 90 90 90 Pnnm |
|
atom x y z occ Biso |
|
MnM1 0 0 0 .42 |
|
MnM2 0 0 .5 .43 |
|
MnM3 0 .5 0 .48 |
|
MgM4 0 .5 .5 .54 2.4 |
|
MnM4 0 .5 .5 .05 2.4 |
|
MgM5 .11890 .1703 .2480 .918 .51 |
|
MnM5 .11890 .1703 .2480 .082 .51 |
|
MnM6 .12887 .3935 0 .49 |
|
MnM7 .1064 .3973 .5 .448 .98 |
|
MnM7* .144 .3861 .5 .26 4.8 |
|
FeM7' .0646 .4043 .5 .292 3.3 |
|
MnM8 .25289 .27535 0 .51 |
|
MgM9 .2509 .2820 .5 .57 .79 |
|
MnM9 .2509 .2820 .5 .43 .79 |
|
MgM10 .37222 .1160 .2476 .733 .55 |
|
MnM10 .37222 .1160 .2476 .12 .55 |
|
FeM10 .37222 .1160 .2476 .147 .55 |
|
MgM11 .37260 .3948 .2488 .775 .49 |
|
MnM11 .37260 .3948 .2488 .078 .49 |
|
FeM11 .37260 .3948 .2488 .147 .49 |
|
B1 .9821 .2446 0 .40 |
|
B2 .9816 .2471 .5 .84 |
|
B3 .2367 .0318 0 .64 |
|
B4 .2318 .0443 .5 .59 |
|
O1 .0662 .0306 .2504 .71 |
|
O2 .0564 .2416 0 .78 |
|
O3 .0577 .2442 .5 .75 |
|
O4 .0731 .4685 .2148 .81 |
|
O5 .1947 .1234 0 .86 |
|
O6 .1926 .1369 .5 .73 |
|
O7 .1802 .3152 .2221 .87 |
|
O8 .3125 .0407 0 .92 |
|
O9 .3070 .0468 .5 .77 |
|
O10 .3189 .2530 .2379 .84 |
|
O11 .3038 .4466 0 .79 |
|
O12 .2977 .4352 .5 .72 |
|
O13 .4463 .1566 0 .85 |
|
O14 .4445 .1595 .5 .67 |
|
O15 .4443 .3471 0 .74 |
|
O16 .4423 .3489 .5 .64 |
|
|
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|
| |
|
Manganpyrosmalite |
|
Kato T, Takeuchi Y |
|
The Canadian Mineralogist 21 (1983) 1-6 |
|
The pyrosmalite group of minerals I. Structure refinement of |
|
Manganpyrosmalite |
|
Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan |
|
_database_code_amcsd 0005189 |
|
13.391 13.391 7.139 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
MnM1 0 0 0 .56 1.17 |
|
FeM1 0 0 0 .44 1.17 |
|
MnM2 .2549 0 0 .56 .84 |
|
FeM2 .2549 0 0 .44 .84 |
|
MnM3 .5 0 0 .56 .73 |
|
FeM3 .5 0 0 .44 .73 |
|
MnM4 .5026 .2513 .0222 .56 .64 |
|
FeM4 .5026 .2513 .0222 .44 .64 |
|
Si .4375 .1046 .6245 .97 .54 |
|
Fe .4375 .1046 .6245 .03 .54 |
|
O1 .3413 0 .5 1.11 |
|
O2 .5640 .1280 .5582 .98 |
|
O3 .4316 .2158 .5551 .87 |
|
O4 .4199 .0841 .8491 .68 |
|
Cl1 .1680 .0840 .7756 .55 2.09 |
|
OH1 .1680 .0840 .7756 .45 2.09 |
|
OH2 .3366 .1683 .1330 .91 |
|
OH3 .5809 .1618 .1450 .89 |
|
OH4 1/3 2/3 .1218 .40 |
|
|
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|
| |
|
Manganpyrosmalite |
|
Kato T, Takeuchi Y |
|
The Canadian Mineralogist 21 (1983) 1-6 |
|
The pyrosmalite group of minerals I. Structure refinement of |
|
Manganpyrosmalite |
|
Note: sample 2 |
|
Note: z-coordinate for AlM4 changed |
|
Locality: Kyurazawa mine, Japan |
|
_database_code_amcsd 0005190 |
|
13.422 13.422 7.165 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
MnM1 0 0 0 .75 1.29 |
|
FeM1 0 0 0 .20 1.29 |
|
MnM2 .2542 0 0 .75 .76 |
|
FeM2 .2542 0 0 .20 .76 |
|
MnM3 .5 0 0 .75 .51 |
|
FeM3 .5 0 0 .20 .51 |
|
MnM4 .5024 .2512 .0228 .75 .52 |
|
FeM4 .5024 .2512 .0228 .20 .52 |
|
Si .4369 .1036 .6241 .52 |
|
O1 .3405 0 .5 1.41 |
|
O2 .5644 .1288 .5574 1.20 |
|
O3 .4302 .2151 .5553 1.05 |
|
O4 .4200 .0839 .8486 .48 |
|
Cl1 .1684 .0842 .7733 .49 2.21 |
|
OH1 .1684 .0842 .7733 .51 2.21 |
|
OH2 .3350 .1675 .1407 .46 |
|
OH3 .5815 .1630 .1495 .40 |
|
OH4 1/3 2/3 .1233 .52 |
|
|
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|
| |
|
Pyrosmalite-(Mn) |
|
Kato T, Takeuchi Y |
|
The Canadian Mineralogist 21 (1983) 1-6 |
|
The pyrosmalite group of minerals I. Structure refinement of |
|
Manganpyrosmalite |
|
Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan |
|
_database_code_amcsd 0005191 |
|
13.391 13.391 7.139 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
MnM1 0 0 0 .56 1.17 |
|
FeM1 0 0 0 .44 1.17 |
|
MnM2 .2549 0 0 .56 .84 |
|
FeM2 .2549 0 0 .44 .84 |
|
MnM3 .5 0 0 .56 .73 |
|
FeM3 .5 0 0 .44 .73 |
|
MnM4 .5026 .2513 .0222 .56 .64 |
|
FeM4 .5026 .2513 .0222 .44 .64 |
|
Si .4375 .1046 .6245 .97 .54 |
|
Fe .4375 .1046 .6245 .03 .54 |
|
O1 .3413 0 .5 1.11 |
|
O2 .5640 .1280 .5582 .98 |
|
O3 .4316 .2158 .5551 .87 |
|
O4 .4199 .0841 .8491 .68 |
|
Cl1 .1680 .0840 .7756 .55 2.09 |
|
OH1 .1680 .0840 .7756 .45 2.09 |
|
OH2 .3366 .1683 .1330 .91 |
|
OH3 .5809 .1618 .1450 .89 |
|
OH4 1/3 2/3 .1218 .40 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pyrosmalite-(Mn) |
|
Kato T, Takeuchi Y |
|
The Canadian Mineralogist 21 (1983) 1-6 |
|
The pyrosmalite group of minerals I. Structure refinement of |
|
Manganpyrosmalite |
|
Note: sample 2 |
|
Note: z-coordinate for AlM4 changed |
|
Locality: Kyurazawa mine, Japan |
|
_database_code_amcsd 0005192 |
|
13.422 13.422 7.165 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
MnM1 0 0 0 .75 1.29 |
|
FeM1 0 0 0 .20 1.29 |
|
MnM2 .2542 0 0 .75 .76 |
|
FeM2 .2542 0 0 .20 .76 |
|
MnM3 .5 0 0 .75 .51 |
|
FeM3 .5 0 0 .20 .51 |
|
MnM4 .5024 .2512 .0228 .75 .52 |
|
FeM4 .5024 .2512 .0228 .20 .52 |
|
Si .4369 .1036 .6241 .52 |
|
O1 .3405 0 .5 1.41 |
|
O2 .5644 .1288 .5574 1.20 |
|
O3 .4302 .2151 .5553 1.05 |
|
O4 .4200 .0839 .8486 .48 |
|
Cl1 .1684 .0842 .7733 .49 2.21 |
|
OH1 .1684 .0842 .7733 .51 2.21 |
|
OH2 .3350 .1675 .1407 .46 |
|
OH3 .5815 .1630 .1495 .40 |
|
OH4 1/3 2/3 .1233 .52 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Strontio-orthojoaquinite |
|
Kato T, Mizota T |
| |
Journal of the Faculty of Liberal Arts. Yamaguchi University (Natural Science) 24 (1990) 23-32 |
|
The crystal structure of strontio-orthojoaquinite |
|
Locality: amphibole-quartz-albite dike cutting serpentinite in Ohmi, Nigata Prefecture, Japan |
|
_database_code_amcsd 0014113 |
|
10.602 9.841 22.621 90 90 90 P2_1am |
|
atom x y z Biso |
|
Bal 0 0 0 .47 |
|
Ba2 .5 .5 0 .48 |
|
Ba3 .381 .227 .275 .58 |
|
Ba4 .753 .221 .222 .44 |
|
Ba5 .638 .021 .5 1.03 |
|
Ba6 .146 .527 .5 .09 |
|
Til .378 .250 .436 .10 |
|
Ti2 .753 .255 .063 .10 |
|
Si1 .038 .247 .119 .10 |
|
Si2 .474 .231 .124 .10 |
|
Si3 .254 .044 .140 1.72 |
|
Si4 .261 .445 .140 .10 |
|
Si5 .382 .946 .361 .10 |
|
Si6 .382 .522 .357 1.31 |
|
Si7 .654 .259 .375 .22 |
|
Si8 .096 .259 .380 .37 |
|
O1 .129 .353 .119 2.74 |
|
O2 .402 .114 .111 .10 |
|
O3 .146 .118 .103 .10 |
|
O4 .397 .376 .112 .10 |
|
O5 .745 .101 .123 .60 |
|
O6 .739 .366 .132 .10 |
|
O7 .528 .302 .188 .10 |
|
O8 .013 .273 .225 .10 |
|
O9 .560 .219 .061 2.50 |
|
O10 .974 .248 .065 1.00 |
|
O11 .245 .079 .215 .10 |
|
O12 .287 .436 .211 .10 |
|
O13 .502 .880 .397 .10 |
|
O14 .276 .887 .386 .60 |
|
O15 .230 .625 .386 3.87 |
|
O16 .538 .586 .389 1.39 |
|
O17 .603 .244 .310 1.43 |
|
O18 .149 .260 .314 .11 |
|
O19 .205 .240 .434 .10 |
|
O20 .562 .263 .429 .10 |
|
O21 .383 .120 .356 3.91 |
|
O22 .377 .410 .374 .10 |
|
O23 .887 .421 .283 1.31 |
|
O24 .905 .076 .292 2.29 |
|
OH1 .782 .131 0 .10 |
|
OH2 .765 .374 0 .10 |
|
OH3 .383 .003 .5 .10 |
|
OH4 .384 .462 .5 .10 |
|
OH5 .295 .246 0 1.00 |
|
OH6 .906 .227 .5 1.00 |
|
OH7 .563 .996 .227 1.00 |
|
Fe .065 .128 .248 1.13 |
|
Na .057 .452 .234 2.73 |
|
|
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|
| |
|
Svanbergite |
|
Kato T, Miura Y |
|
Mineralogical Journal 8 (1977) 419-430 |
|
The crystal structure of jarosite and svanbergite |
|
Locality: Dover Andalusite Mine, Nevada, USA |
|
_database_code_amcsd 0014419 |
|
6.992 6.992 16.5670 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Sr 0 0 0 1.29 |
|
Al 1/6 -1/6 -1/6 .21 |
|
P 0 0 .3095 .5 .11 |
|
S 0 0 .3095 .5 .11 |
|
O1 0 0 .3993 .36 |
|
O2 .2180 -.2180 -.0558 .46 |
|
OH .1247 -.1247 .1358 .13 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jarosite |
|
Kato T, Miura Y |
|
Mineralogical Journal 8 (1977) 419-430 |
|
The crystal structure of jarosite and svanbergite |
|
Locality: Meadow Valley 1, Pinoche, Nevada, USA |
|
_database_code_amcsd 0014420 |
|
7.304 7.304 17.2680 90 90 120 R-3m |
|
atom x y z Biso |
|
K 0 0 0 1.04 |
|
Fe 1/6 -1/6 -1/6 .58 |
|
S 0 0 .3084 .58 |
|
O1 0 0 .3934 1.00 |
|
O2 .2180 -.2180 -.0543 1.23 |
|
OH .1247 -.1247 .1351 .80 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Katayamalite |
| |
Kato T, Murakami N |
|
Mineralogical Journal 12 (1985) 206-217 |
|
The crystal structure of katayamalite |
|
Locality: Iwagi Islet, Ehime Prefecture, Japan |
|
_database_code_amcsd 0014425 |
|
9.721 16.923 19.942 91.43 104.15 89.94 C-1 |
|
atom x y z occ Biso |
|
K .446 .375 .750 .89 1.95 |
|
Na .446 .375 .750 .11 1.95 |
|
Li1 .192 .627 .750 1.18 |
|
Li2 .693 .621 .753 .90 |
|
Li3 .458 .875 .749 .90 |
|
Ca1 0 0 0 .74 |
|
Ca2 .25 .25 .5 .66 |
|
Ca3 .434 .286 .013 .67 |
|
Ca4 .139 .428 .000 .66 |
|
Ca5 .213 .642 -.007 .70 |
|
Ca6 .171 .464 .487 .68 |
|
Ca7 .470 .608 .507 .72 |
|
Ca8 .111 .678 .500 .60 |
|
Ti1 .445 .709 .748 .975 .41 |
|
Fe1 .445 .709 .748 .025 .41 |
|
Ti2 .446 .041 .752 .975 .37 |
|
Fe2 .446 .041 .752 .025 .37 |
|
Si1 .253 .499 .860 .39 |
|
Si2 .564 .561 .859 .43 |
|
Si3 .810 .439 .860 .36 |
|
Si4 .745 .256 .859 .42 |
|
Si5 .439 .192 .862 .30 |
|
Si6 .195 .316 .860 .38 |
|
Si7 .300 .689 .360 .32 |
|
Si8 .544 .811 .359 .38 |
|
Si9 .856 .749 .360 .44 |
|
Si10 -.085 .566 .360 .43 |
|
Si11 .673 .442 .362 .44 |
|
Si12 .364 .506 .359 .45 |
|
O1 .230 .405 .841 1.00 |
|
O2 .141 .550 .806 .69 |
|
O3 .253 .517 .939 .90 |
|
O4 .413 .515 .851 1.23 |
|
O5 .555 .628 .804 .84 |
|
O6 .621 .591 .938 .85 |
|
O7 .670 .494 .841 .92 |
|
O8 .909 .456 .809 .74 |
|
O9 .891 .449 .942 .78 |
|
O10 .744 .350 .845 1.03 |
|
O11 .809 .207 .804 .73 |
|
O12 .824 .241 .938 .82 |
|
O13 .580 .230 .845 1.00 |
|
O14 .381 .119 .810 .83 |
|
O15 .469 .171 .942 .70 |
|
O16 .326 .264 .845 1.02 |
|
O17 .047 .291 .808 .70 |
|
O18 .195 .311 .941 .76 |
|
O19 .353 .600 .345 1.07 |
|
O20 .150 .706 .309 .74 |
|
O21 .301 .700 .441 .72 |
|
O22 .422 .743 .340 .91 |
|
O23 .499 .879 .304 .79 |
|
O24 .568 .840 .438 .87 |
|
O25 .687 .765 .350 1.13 |
|
O26 .913 .799 .306 .77 |
|
O27 -.063 .768 .439 .86 |
|
O28 .860 .655 .340 .80 |
|
O29 .010 .542 .308 .66 |
|
O30 -.002 .562 .441 .69 |
|
O31 .769 .514 .345 1.08 |
|
O32 .679 .370 .310 .74 |
|
O33 .722 .420 .442 .74 |
|
O34 .515 .480 .345 1.04 |
|
O35 .245 .457 .304 .94 |
|
O36 .365 .491 .438 .82 |
|
OH1 .453 .623 .043 .88 .69 |
|
F1 .453 .623 .043 .12 .69 |
|
OH2 .340 .372 .543 .88 .69 |
|
F2 .340 .372 .543 .12 .69 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Masutomilite |
|
Mizota T, Kato T, Harada K |
|
Mineralogical Journal 13 (1986) 13-21 |
|
The crystal structure of masutomilite, Mn analogue of zinnwaldite |
|
Locality: Tanakamiyama, Ohtsu, Japan |
|
_database_code_amcsd 0014426 |
|
5.262 9.102 10.094 90 100.83 90 C2 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .5 0 .861 2.15 .018 .0072 .0054 0 .0018 0 |
|
Na 0 .5 0 .072 2.15 .018 .0072 .0054 0 .0018 0 |
|
Rb 0 .5 0 .067 2.15 .018 .0072 .0054 0 .0018 0 |
|
LiM1 0 -.0081 .5 .635 1.09 .007 .004 .004 0 .002 0 |
|
MnM1 0 -.0081 .5 .25 1.09 .007 .004 .004 0 .002 0 |
|
FeM1 0 -.0081 .5 .05 1.09 .007 .004 .004 0 .002 0 |
|
AlM2 0 .3190 .5 .98 .97 .005 .005 .002 0 .000 0 |
|
FeM2 0 .3190 .5 .02 .97 .005 .005 .002 0 .000 0 |
|
LiM3 .5 .1587 .5 .635 1.00 .009 .003 .003 0 .001 0 |
|
MnM3 .5 .1587 .5 .25 1.00 .009 .003 .003 0 .001 0 |
|
FeM3 .5 .1587 .5 .05 1.00 .009 .003 .003 0 .001 0 |
|
SiT1 .0751 .166 .2282 .89 .54 .004 .002 .002 -.001 .002 .000 |
|
AlT1 .0751 .166 .2282 .11 .54 .004 .002 .002 -.001 .002 .000 |
|
SiT11 .5852 .3297 .2287 .78 .78 .003 .003 .002 -.002 .000 -.0001 |
|
AlT11 .5852 .3297 .2287 .22 .78 .003 .003 .002 -.002 .000 -.0001 |
|
O1 .0396 -.0034 .1727 1.38 .013 .004 .003 -.001 .001 .002 |
|
O2 .3183 .2346 .1716 1.76 .004 .008 .006 -.003 .003 -.002 |
|
O22 .8214 .2573 .1611 1.36 .018 .004 .002 .002 .003 -.001 |
|
O3 .1148 .1699 .3919 1.16 .008 .005 .002 .000 .001 -.001 |
|
O33 .6586 .3219 .3923 .63 .003 .002 .002 .002 .000 -.001 |
|
F .1088 .4677 .3984 .73 .88 .007 .003 .003 -.001 .002 .000 |
|
OH .1088 .4677 .3984 .27 .88 .007 .003 .003 -.001 .002 .000 |
|
|
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|
| |
|
Yeatmanite |
|
Kato T |
|
Mineralogical Journal 13 (1986) 53-64 |
|
The crystal structure of yeatmanite |
|
Locality: Franklin, New Jersey, USA |
|
_database_code_amcsd 0014427 |
|
5.544 11.683 9.134 92.06 101.19 76.34 P-1 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .49 |
|
Mn2 .5710 .8565 -.0060 .50 |
|
Mn3 .2952 .4249 .0007 .64 |
|
Sb .1415 .7199 -.0021 .35 |
|
Mn4 .6403 .2845 .3590 .28 |
|
Mn5 .9337 .7081 .3465 .41 |
|
Zn1 .2068 .1392 .3489 1.19 |
|
Zn2 .4847 .5716 .3297 .81 |
|
Zn3 .3436 .8600 .3382 .74 |
|
Si1 .7651 -.0060 .3086 .39 |
|
Si2 .0561 .4275 .3172 .9 .51 |
|
Fe3+2 .0561 .4275 .3172 .1 .51 |
|
O1 .6906 -.0039 .1280 .41 |
|
O2 .1186 .1540 .1190 .52 |
|
O3 .5959 .2884 .1244 .64 |
|
O4 .9953 .4108 .1293 .33 |
|
O5 .3832 .5835 .1080 1.71 |
|
O6 .8775 .7112 .1135 .79 |
|
O7 .2718 .8447 .1135 .54 |
|
O8 .9368 .0027 .6445 .43 |
|
O9 .2936 .1218 .6185 .85 |
|
O10 .6959 .2880 .5915 .87 |
|
O11 .1472 .4557 .6479 1.07 |
|
O12 .6486 .5615 .6367 .59 |
|
O13 .9761 .6960 .6084 .78 |
|
O14 .4160 .8855 .6266 1.43 |
|
|
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|
| |
|
Goyazite |
|
Kato T |
|
Mineralogical Journal 13 (1987) 390-396 |
|
Further refinement of the goyazite structure |
|
Locality: Palermo mine, North Groton, New Hampshire, USA |
|
_database_code_amcsd 0014430 |
|
7.015 7.015 16.558 90 90 120 R-3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sr 0 0 0 1.00 .00883 .00883 .00035 .00442 0 0 |
|
Al .5 .5 .5 .66 .00353 .00470 .00074 .00235 .00073 .00146 |
|
P 0 0 .3075 .52 .00300 .00300 .00063 .00150 0 0 |
|
O1 0 0 .4003 .68 .00556 .00556 .00037 .00278 0 0 |
|
O2 .2142 -.2142 -.0567 .66 .00618 .00618 .00048 .00495 .00007 -.00007 |
|
O3 .1247 -.1247 .1371 .72 .00313 .00313 .00094 .00058 .00055 -.00055 |
|
H1 0 0 .463 .5 |
|
H2 .194 .806 .110 |
|
|
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|
| |
|
Woodhouseite |
|
Kato T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 241-247 |
|
The crystal structures of goyazite and woodhousite |
|
Locality: Andalusite mine, Mono Co., California, USA |
|
_database_code_amcsd 0014741 |
|
6.976 6.976 16.235 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Ca 0 0 0 1.69 |
|
Al 1/6 -1/6 -1/6 .20 |
|
P 0 0 .3128 .5 .37 |
|
S 0 0 .3128 .5 .37 |
|
O1 0 0 .4045 .59 |
|
O2 .2157 -.2157 -.0528 .93 |
|
OH .1241 -.1241 .1347 .30 |
|
|
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|
| |
|
Goyazite |
|
Kato T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 241-247 |
|
The crystal structures of goyazite and woodhousite |
|
Locality: Palesmo mine, North Groton, New Hampshire, USA |
|
_database_code_amcsd 0014742 |
|
7.021 7.021 16.505 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Sr 0 0 0 .56 |
|
Al 1/6 -1/6 -1/6 .56 |
|
P 0 0 .3083 .61 |
|
O1 0 0 .4017 1.71 |
|
O2 .2158 -.2158 -.0566 1.39 |
|
OH .1262 -.1262 .1366 .83 1.16 |
|
Wat .1262 -.1262 .1366 .17 1.16 |
|
|
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|
| |
|
Sonolite |
|
Kato T, Ito Y, Hashimoto N |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 410-430 |
|
The crystal structures of sonolite and jerrygibbsite |
|
Locality: Hokkejino mine, Kyoto Prefecture, Honshu, Japan |
|
_database_code_amcsd 0014839 |
|
4.872 10.669 14.287 100.30 90 90 P2_1/b |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MnM1C .5 0 .5 .864 1.04 .00906 .00312 .00115 .00027 -.00055 .00016 |
|
MgM1C .5 0 .5 .08 1.04 .00906 .00312 .00115 .00027 -.00055 .00016 |
|
CaM1C .5 0 .5 .05 1.04 .00906 .00312 .00115 .00027 -.00055 .00016 |
|
FeM1C .5 0 .5 .006 1.04 .00906 .00312 .00115 .00027 -.00055 .00016 |
|
MnM1N .4953 .9473 .2733 .884 .86 .00748 .00246 .00100 .00036 -.00035 -.00065 |
|
MgM1N .4953 .9473 .2733 .06 .86 .00748 .00246 .00100 .00036 -.00035 -.00065 |
|
CaM1N .4953 .9473 .2733 .05 .86 .00748 .00246 .00100 .00036 -.00035 -.00065 |
|
FeM1N .4953 .9473 .2733 .006 .86 .00748 .00246 .00100 .00036 -.00035 -.00065 |
|
MnM25 .0091 .1393 .1717 .884 .80 .00953 .00162 .00094 .00035 .00017 -.00018 |
|
MgM25 .0091 .1393 .1717 .06 .80 .00953 .00162 .00094 .00035 .00017 -.00018 |
|
CaM25 .0091 .1393 .1717 .05 .80 .00953 .00162 .00094 .00035 .00017 -.00018 |
|
FeM25 .0091 .1393 .1717 .006 .80 .00953 .00162 .00094 .00035 .00017 -.00018 |
|
MnM26 .5128 .2537 .3880 .874 .72 .00760 .00147 .00093 -.00012 -.00011 -.00023 |
|
MgM26 .5128 .2537 .3880 .07 .72 .00760 .00147 .00093 -.00012 -.00011 -.00023 |
|
CaM26 .5128 .2537 .3880 .05 .72 .00760 .00147 .00093 -.00012 -.00011 -.00023 |
|
FeM26 .5128 .2537 .3880 .006 .72 .00760 .00147 .00093 -.00012 -.00011 -.00023 |
|
MnM3 .4860 .8738 .0416 .743 1.17 .01163 .00293 .00132 .00020 -.00009 -.00009 |
|
MgM3 .4860 .8738 .0416 .21 1.17 .01163 .00293 .00132 .00020 -.00009 -.00009 |
|
CaM3 .4860 .8738 .0416 .042 1.17 .01163 .00293 .00132 .00020 -.00009 -.00009 |
|
FeM3 .4860 .8738 .0416 .005 1.17 .01163 .00293 .00132 .00020 -.00009 -.00009 |
|
Sil .0740 .0673 .3897 .49 .00359 .00160 .00054 .00015 .00014 -.00025 |
|
Si2 .0775 .1751 .8359 .46 .00293 .00116 .00076 .00016 -.00013 -.00034 |
|
O11 .7417 .0635 .3880 .74 .00668 .00212 .00083 -.00058 -.00014 -.00056 |
|
O12 .2837 .4264 .3875 .50 .00658 .00099 .00069 .00050 .00010 -.00062 |
|
O13 .2120 .1141 .2973 .63 .00355 .00214 .00088 .00057 .00050 -.00022 |
|
O14 .2138 .1563 .4824 .70 .00581 .00226 .00070 .00049 -.00042 -.00047 |
|
O21 .2468 .3239 .1623 .81 .00436 .00279 .00108 -.00008 .00043 -.00000 |
|
O22 .7814 .9639 .1622 .89 .00871 .00178 .00128 -.00004 .00012 -.00003 |
|
O23 .7151 .2818 .2580 .71 .00712 .00177 .00084 .00077 -.00042 -.00025 |
|
O24 .7206 .2319 .0732 .69 .00741 .00129 .00118 .00055 -.00036 -.00088 |
|
OH .2576 .0440 .0532 1.20 .01274 .00266 .00203 .00194 .00341 .00021 |
|
|
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|
| |
|
Jerrygibbsite |
|
Kato T, Ito Y, Hashimoto N |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 410-430 |
|
The crystal structures of sonolite and jerrygibbsite |
|
Locality: Franklin, New Jersey |
|
Note: O12 z-coordinate changed to reproduce reported bond lengths |
|
_database_code_amcsd 0014840 |
|
4.875 10.709 28.18 90 90 90 Pbn2_1 |
|
atom x y z Biso |
|
MnM1 -.0020 .3804 .25 .63 |
|
MnM2 -.0003 .3725 .1370 .69 |
|
MnM3 -.0039 .3658 .3619 .62 |
|
MnM4 .0157 .0976 .0817 .86 |
|
MnM5 .0013 .6494 .4087 .84 |
|
MnM6 -.0113 .6567 .1927 .64 |
|
MnM7 .0091 .0910 .3010 .81 |
|
MnM8 -.0187 .3722 .0202 .92 |
|
MnM9 -.0063 .3578 .4782 .76 |
|
Si1 .0748 .9681 .1942 .66 |
|
Si2 -.0647 .7812 .3016 .73 |
|
Si3 .0847 .9618 .4171 .94 |
|
Si4 -.0795 .7773 .0806 .84 |
|
O1 .7435 .9673 .1949 1.14 |
|
O2 .2630 .7724 .3026 1.45 |
|
O3 .2082 .8216 .1974 .29 |
|
O4 .7951 .9177 .3030 .95 |
|
O5 .2280 .0414 .1434 2.13 |
|
O6 .7860 .7031 .3494 .95 |
|
O7 .2202 .0371 .2338 .63 |
|
O8 .7816 .7189 .2529 1.73 |
|
O9 .2656 .8039 .0814 2.28 |
|
O10 .7685 .9718 .4207 .89 |
|
O11 .7728 .9228 .0788 .83 |
|
O12 .2412 .8098 .4199 1.55 |
|
O13 .7835 .7097 .1274 1.29 |
|
O14 .2256 .0367 .3682 2.26 |
|
O15 .7949 .7225 .0379 .84 |
|
O16 .2288 .0308 .4674 1.03 |
|
OH1 .7705 .9730 .5189 2.03 |
|
OH2 .7615 .2255 .4704 2.77 |
|
|
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|
| |
|
Florencite-(Ce) |
|
Kato T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 227-231 |
|
The crystal structure of florencite |
|
Locality: Backbone Ranges of Mackenzie Mountains, Northwest Territories, Canada |
|
_database_code_amcsd 0014842 |
|
6.972 6.972 16.261 90 90 120 R-3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al .5 .5 .5 .35 .00060 .00544 .00039 .00272 .00031 .00016 |
|
Ce 0 0 0 .54 .80 .00702 .00702 .00034 .00351 0 0 |
|
La 0 0 0 .27 .80 .00702 .00702 .00034 .00351 0 0 |
|
Nd 0 0 0 .11 .80 .00702 .00702 .00034 .00351 0 0 |
|
Sm 0 0 0 .04 .80 .00702 .00702 .00034 .00351 0 0 |
|
Ca 0 0 0 .04 .80 .00702 .00702 .00034 .00351 0 0 |
|
P 0 0 .3119 .48 .00384 .00384 .00032 .00192 0 0 |
|
O1 0 0 .4049 .68 .00606 .00606 .00025 .00303 0 0 |
|
O2 .2126 -.2126 -.0548 .64 .00590 .00590 .00039 .00398 -.00009 .00009 |
|
Oh .1243 -.1243 .1338 .63 .00348 .00348 .00065 .00079 .00021 -.00021 |
|
H .193 -.193 .122 |
|
|
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|
| |
|
Schallerite |
|
Kato T, Watanabe I |
| |
Yamaguchi University, College of Arts Bulletin 26 (1992) 51-63 |
|
The crystal structures of schallerite and friedelite |
|
Locality: Franklin, New Jersey |
|
_database_code_amcsd 0015710 |
|
13.420 13.420 14.320 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Mn1 1/3 2/3 .1039 .30 |
|
Mn2 .0809 -.0809 .1130 .30 |
|
Mn3 -.1756 .1653 .0999 .36 |
|
Mn4 -.4138 .4169 .0860 .30 |
|
Mn5 .0907 .4240 .0972 .30 |
|
Mn6 .3346 .4133 .0909 .55 |
|
Si1 .2418 -.0044 -.0988 .30 |
|
Si2 .2349 .2265 -.0940 .30 |
|
Si3 .4460 .0974 .2873 2.04 |
|
Si4 .4250 .3423 .2839 .87 |
|
As1 .4993 -.5166 .4057 1/3 1.86 |
|
As2 .2503 -.2428 .3966 2/3 .86 |
|
O1 .2511 -.0060 .0133 .30 |
|
O2 .2520 .2586 .0181 .30 |
|
O3 .4190 .0826 .1779 .30 |
|
O4 .4178 .3322 .1705 .30 |
|
O5 .3422 -.0012 -.1452 3.01 |
|
O6 .3412 .3450 -.1427 2.37 |
|
O7 -.1136 .1129 -.1392 1.95 |
|
O8 .1222 -.1254 -.1244 3.92 |
|
O9 -.2185 .2146 .3122 1.01 |
|
O10 .5452 -.5561 .3387 3.29 |
|
O11 .4993 .5928 .3437 .30 |
|
O12 .3625 .4556 .3169 .30 |
|
O13 1/3 2/3 .2792 .30 |
|
OH1 .5002 -.5068 .0202 2/3 3.32 |
|
O1b .5002 -.5068 .0202 1/3 3.32 |
|
OH2 -.0621 .0583 .1516 1/3 1.84 |
|
O2b -.0621 .0583 .1516 2/3 1.84 |
|
OH3 -.2419 .2555 .0201 .30 |
|
OH4 .1593 -.1664 .1725 .30 |
|
OH5 .4257 -.4175 .1853 .55 |
|
OH6 2/3 1/3 .1643 .30 |
|
OH7 .2553 -.2521 .0289 .30 |
|
OH8 0 0 0 .30 |
|
|
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|
| |
|
Friedelite |
|
Kato T, Watanabe I |
| |
Yamaguchi University, College of Arts Bulletin 26 (1992) 51-63 |
|
The crystal structures of schallerite and friedelite |
|
Locality: Aderville, France |
|
_database_code_amcsd 0015711 |
|
23.28 13.44 7.428 90 104.98 90 C2/m |
|
atom x y z Biso |
|
Mn1 0 .1236 0 .47 |
|
Mn2 0 .3711 0 1.06 |
|
Mn3 .1276 0 .0194 .70 |
|
Mn4 .1268 .2486 .0100 .77 |
|
Mn5 .1257 .5 -.0132 .99 |
|
Mn6 .2521 .1246 .0181 .63 |
|
Si1 .2074 .3866 .3728 2.14 |
|
Si2 .3217 .2674 .3769 1.82 |
|
Si3 .4434 .3825 .3691 2.12 |
|
O1 0 .1657 .5 8.04 |
|
O2 .0625 .0 .5700 17.14 |
|
O3 .1147 .1647 .5860 12.37 |
|
O4 .1656 .3287 .4950 10.31 |
|
O5 .2250 .1670 .5530 7.26 |
|
O6 .2866 0 .5800 21.10 |
|
O7 .1787 .3731 .1553 .24 |
|
O8 .3064 .2504 .1550 .89 |
|
O9 .4267 .3783 .1445 .11 |
|
OH1 .0570 0 .1757 1.10 |
|
OH2 .0565 .2477 .1596 .59 |
|
Cl3 .0603 .5 .2207 .59 |
|
OH4 .1767 .1260 .1501 .21 |
|
OH5 .3036 0 .1580 .76 |
|
OH6 .3051 .5 .1571 .37 |
|
OH7 .4272 .1257 .1446 .42 |
|
|
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|
| |
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