|
Augite |
 |
Clark J, Appleman D, Papike J |
| |
Mineralogical Society of America Special Paper 2 (1969) 31-50 |
|
Crystal-chemical characterization of clinopyroxenes based on eight new |
|
structure refinements |
|
_cod_database_code 1000035 |
|
_database_code_amcsd 0000001 |
|
9.699 8.844 5.272 90 106.97 90 C2/c |
|
atom x y z occ |
|
Na1 0 .2952 .25 .09 |
|
Ca1 0 .2952 .25 .616 |
|
Mg1 0 .9063 .25 .715 |
|
Mg2 0 .2952 .25 .187 |
|
Fe1 0 .2952 .25 .107 |
|
Fe2 0 .9063 .25 .103 |
|
Al1 0 .9063 .25 .182 |
|
Al2 .2896 .0924 .2353 .08 |
|
Ti1 .2896 .0924 .2353 .01 |
|
Si1 .2896 .0924 .2353 .91 |
|
O1 .1150 .0865 .1402 |
|
O2 .3647 .2530 .3260 |
|
O3 .3256 .0185 .0013 |
|
|
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|
| |
|
Metatorbernite |
|
Ross M, Evans H T, Appleman D E |
 |
American Mineralogist 49 (1964) 1603-1621 |
|
Studies of the torbernite minerals (II): The crystal structure of |
|
meta-torbernite |
|
_database_code_amcsd 0000133 |
|
6.969 6.969 17.306 90 90 90 P4/n |
|
atom x y z Biso |
|
P1 .25 .75 0 .1 |
|
P2 .25 .75 .5 .1 |
|
Cu .25 .25 .8099 1.1 |
|
U1 .25 .25 .0510 .76 |
|
U2 .25 .25 .5524 .63 |
|
O1 .25 .25 .1564 1.6 |
|
O2 .25 .25 .6563 1.2 |
|
O3 .25 .25 .9488 .7 |
|
O4 .25 .25 .4403 1.5 |
|
O5 .7834 .0802 .4466 1.6 |
|
O6 .7038 .0818 .9486 .4 |
|
Wat7 .3476 .9814 .3105 2.7 |
|
Wat8 .2225 .9768 .8095 2.6 |
|
|
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|
| |
|
Margaritasite |
|
Appleman D E, Evans H T |
|
American Mineralogist 50 (1965) 825-842 |
|
The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and |
|
its cesium analogue, Cs2(UO2)2V2O8 |
|
_database_code_amcsd 0000135 |
|
10.51 8.45 7.32 90 106.08 90 P2_1/a |
|
atom x y z Biso |
|
Cs .6358 .7681 .4576 1.46 |
|
U .6813 .4795 .9873 .20 |
|
V .9440 .6495 .8959 .02 |
|
O1 .6238 .4382 .7415 1.28 |
|
O2 .7406 .5226 .2330 .91 |
|
O3 .5098 .6525 .9667 .22 |
|
O4 .9347 .6342 .6603 1.42 |
|
O5 .8953 .4424 .9820 .63 |
|
O6 .7786 .7077 .9418 .75 |
|
|
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|
| |
|
Reedmergnerite |
|
Appleman D E, Clark J R |
|
American Mineralogist 50 (1965) 1827-1850 |
|
Crystal structure of reedmergnerite, a boron albite, and its relation to |
|
feldspar crystal chemistry |
|
_database_code_amcsd 0000139 |
|
7.833 12.360 6.803 93.308 116.352 92.055 C-1 |
|
atom x y z Biso |
|
Na .2586 .0075 .1332 1.22 |
|
B1o .0127 .1617 .2217 .38 |
|
Si1m .0059 .8100 .2097 .28 |
|
Si2o .7029 .1015 .3204 .31 |
|
Si2m .6847 .8644 .3547 .31 |
|
OA1 .0076 .1364 .0040 .56 |
|
OA2 .5929 .9812 .2758 .55 |
|
OBo .8455 .0995 .2126 .70 |
|
OBm .8163 .8347 .2335 .71 |
|
OCo .0064 .2762 .2725 .66 |
|
OCm .0289 .6799 .2070 .74 |
|
ODo .1900 .1200 .3815 .66 |
|
ODm .1922 .8682 .4172 .63 |
|
|
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|
| |
|
Pigeonite |
|
Clark J R, Ross M, Appleman D E |
|
American Mineralogist 56 (1971) 888-908 |
|
Crystal chemistry of a lunar pigeonite |
|
class b data refinement |
|
_database_code_amcsd 0000248 |
|
9.678 8.905 5.227 90 108.71 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .2506 .6548 .2300 .67 .55 |
|
Fe1 .2506 .6548 .2300 .33 .55 |
|
Mg2 .2564 .0167 .2246 .41 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
|
Fe2 .2564 .0167 .2246 .59 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
|
SiA .0434 .3399 .2844 .40 |
|
SiB .5520 .8364 .2368 .34 |
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O1A .8684 .3373 .1740 .57 |
|
O1B .3755 .8357 .1296 .43 |
|
O2A .1231 .4977 .3312 .78 |
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O2B .6314 .9850 .3814 .59 |
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O3A .1048 .2683 .5917 1.12 .0022 .0054 .0095 .0000 .0016 .0033 |
|
O3B .6045 .7047 .4707 1.05 .0022 .0044 .0110 .0007 .0022 .0026 |
|
|
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|
| |
|
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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|
| |
|
Laffittite |
|
Nakai I, Appleman D E |
|
American Mineralogist 68 (1983) 235-244 |
|
Laffittite, AgHgAsS3: crystal structure and second occurrence from the |
|
Getchell mine, Nevada |
|
_database_code_amcsd 0000889 |
|
7.732 11.285 6.643 90 115.16 90 Aa |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ag .25 .0221 0 0.0291 0.0390 0.0326 0.0092 0.0152 -.0047 |
|
Hg .7891 .3166 .0249 0.0303 0.0280 0.0292 -.0046 0.0165 0.0052 |
|
As .2874 .3523 .0195 0.0137 0.0175 0.0162 -.0045 0.0079 -.0139 |
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S1 .4214 .0089 .4318 0.0197 0.0168 0.0171 0.0006 0.0128 0.0000 |
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S2 .9828 .2841 .4697 0.0178 0.0185 0.0116 -.0011 0.0073 -.0001 |
|
S3 .4369 .3722 .3947 0.0214 0.0235 0.0109 -.0030 0.0093 0.0024 |
|
|
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|
| |
|
Becquerelite |
|
Pagoaga M K, Appleman D E, Stewart J M |
|
American Mineralogist 72 (1987) 1230-1238 |
|
Crystal structures and crystal chemistry of the uranyl oxide hydrates |
|
becquerelite, billietite, and protasite |
|
Locality: Shaba, Zaire |
|
_database_code_amcsd 0001132 |
|
13.8378 12.3781 14.9238 90 90 90 Pn2_1a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .08927 .5587 .25794 .0066 .0024 .0021 -.0011 -.0005 -.0013 |
|
U2 .12835 .2467 .24753 .0080 .0077 .0036 .0005 .0003 -.0001 |
|
U3 .09471 .9402 .25081 .0041 .0127 .0030 -.0015 .0007 -.0017 |
|
U4 .37304 .75 .27802 .0061 .0052 .0026 -.0006 -.0005 -.0027 |
|
U5 .34222 .4404 .29160 .0042 .0110 .0040 -.0010 -.0014 -.0022 |
|
U6 .34898 .0690 .28840 .0068 .0034 .0028 -.0027 .0006 -.0022 |
|
Ca .0429 .5735 .5341 .021 .022 .007 -.001 -.002 .004 |
|
O101u .053 .537 .3728 .004 |
|
O102u .138 .590 .1414 .004 |
|
O201u .0739 .225 .3603 .004 |
|
O202u .1747 .260 .1352 .004 |
|
O301u .0641 .978 .3618 .004 |
|
O302u .1081 .914 .1368 .004 |
|
O401u .3861 .756 .3960 .004 |
|
O402u .3488 .763 .1583 .004 |
|
O501u .340 .452 .4059 .004 |
|
O502u .354 .417 .1736 .004 |
|
O601u .333 .050 .4095 .004 |
|
O602u .375 .099 .1686 .004 |
|
O1h .014 .384 .204 .015 |
|
O2o .178 .416 .287 .015 |
|
O3o -.072 .583 .224 .015 |
|
O4h .052 .738 .2767 .015 |
|
O5h .245 .617 .304 .015 |
|
O7w .112 .389 .510 .017 |
|
O8w -.121 .579 .477 .017 |
|
O9w .057 .754 .4755 .017 |
|
O10w .227 .607 .504 .017 |
|
O11h .309 .248 .3159 .015 |
|
O12h .011 .112 .191 .015 |
|
O13o .190 .068 .262 .015 |
|
O14o .438 .923 .267 .015 |
|
O15h .247 .873 .307 .015 |
|
O16w .305 .230 .504 .02 |
|
O17w .063 .089 .025 .02 |
|
O19w .469 .894 .517 .02 |
|
O20w .213 .871 .495 .02 |
|
|
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|
| |
|
Billietite |
|
Pagoaga M K, Appleman D E, Stewart J M |
|
American Mineralogist 72 (1987) 1230-1238 |
|
Crystal structures and crystal chemistry of the uranyl oxide hydrates |
|
becquerelite, billietite, and protasite |
|
Note: y-coordinate of O601u atom changed to make calculated bond lengths |
|
match those published |
|
Locality: Shinkolobwe mine, Shaba, Zaire |
|
_database_code_amcsd 0001133 |
|
12.0720 30.167 7.1455 90 90 90 Pbn2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .44426 .25322 .0045 .0044 .0023 .0030 .0011 -.0004 .0011 |
|
U2 .25251 .26419 .4376 .0064 .0039 .0051 -.0006 .0023 .0001 |
|
U3 .06112 .25716 .0075 .0057 .0019 .0029 -.0002 -.0011 -.0018 |
|
U4 .43954 -.00465 -.0141 .0058 .0059 .0039 .0006 -.0001 -.0003 |
|
U5 .06074 -.00560 -.0081 .0053 .0062 .0034 -.0001 -.0007 .0003 |
|
U6 .25071 -.01161 .5291 .0044 .0039 .0067 .0001 .0009 .0006 |
|
Ba .3628 .12391 -.3120 .0133 .0113 .0161 -.0006 .0006 .0019 |
|
O101u .468 .3084 .026 .006 |
|
O102u .416 .1949 -.004 .006 |
|
O201u .255 .3248 .423 .006 |
|
O202u .255 .2046 .460 .006 |
|
O301u .031 .3116 .023 .006 |
|
O302u .075 .1997 -.007 .006 |
|
O401u .387 .0519 -.031 .006 |
|
O402u .494 -.0633 -.021 .006 |
|
O501u .109 .0504 .041 .006 |
|
O502u .014 -.0626 -.050 .006 |
|
O601u .258 .0449 .438 .006 |
|
O602u .240 -.0672 .561 .006 |
|
O1h .391 .2682 .703 .01 |
|
O2o .411 .2520 .349 .004 |
|
O3o .095 .2479 .309 .004 |
|
O4h .118 .2698 .691 .01 |
|
O5h .270 .2571 .017 .01 |
|
O11o .418 -.0144 .676 .004 |
|
O12h .394 -.0268 .326 .01 |
|
O13h .104 -.0275 .326 .01 |
|
O14o .090 -.0051 .695 .004 |
|
O15h .252 -.0259 -.082 .01 |
|
O16w .230 .1221 -.008 .007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Protasite |
|
Pagoaga M K, Appleman D E, Stewart J M |
|
American Mineralogist 72 (1987) 1230-1238 |
|
Crystal structures and crystal chemistry of the uranyl oxide hydrates |
|
becquerelite, billietite, and protasite |
|
Locality: Shinkolobwe mine, Shaba, Zaire |
|
_database_code_amcsd 0001134 |
|
12.2949 7.2206 6.9558 90 90.401 90 Pn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 0 -.02314 0 .0056 .0060 .0001 -.0002 .0006 .0002 |
|
U2 .81983 -.01959 .45837 .0027 .0059 .0026 -.0005 -.0002 .0019 |
|
U3 .11859 -.01512 .52145 .0032 .0057 .0008 -.0004 -.0013 -.0001 |
|
Ba .97749 .51175 .3285 .0130 .0062 .0088 .0010 -.0007 .0009 |
|
O101u .0170 -.278 -.027 .012 |
|
O102u .9897 .231 .056 .012 |
|
O201u .8096 -.267 .504 .012 |
|
O202u .8418 .224 .399 .012 |
|
O301u .1337 -.264 .558 .012 |
|
O302u .1034 .233 .462 .012 |
|
O1o .9794 -.092 .318 .008 |
|
O2o .9540 .005 -.308 .008 |
|
O3h .8086 -.074 .072 .011 |
|
O4h .1938 -.072 .203 .011 |
|
O5o .1505 .025 -.163 .008 |
|
O6w .187 .545 .156 .04 |
|
O7w .802 .534 .062 .04 |
|
O8w .934 .442 .722 .04 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Chalcophanite |
|
Post J E, Appleman D E |
|
American Mineralogist 73 (1988) 1401-1404 |
|
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations |
|
Locality: Bisbee, Arizona |
|
Note: U(1,2) of O3 altered to match symmetry constraints |
|
Note: H positions determined by energy modelling |
|
_database_code_amcsd 0001204 |
|
7.533 7.533 20.794 90 90 120 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn .71869 .57771 .99948 .0057 .0058 .0090 .0029 .0002 .0001 |
|
Zn 0 0 .09997 .0100 .0100 .0117 .0050 0 0 |
|
O1 .52784 .62297 .04721 .0098 .0083 .0080 .0050 .0000 -.0005 |
|
O2 .26077 .20655 .05048 .0097 .0095 .0122 .0055 .0028 .0026 |
|
O3 0 0 .71250 .0093 .0093 .0063 .00465 0 0 |
|
O4 .17900 .93107 .16435 .0152 .0182 .0160 .0073 -.0028 .0004 |
|
H1 .229 .025 .198 |
|
H2 .310 .940 .144 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Chalcophanite |
|
Post J E, Appleman D E |
|
American Mineralogist 73 (1988) 1401-1404 |
|
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations |
|
Locality: Sterling Hill, New Jersey |
|
Note: U(1,2) of O3 altered to match symmetry constraints |
|
_database_code_amcsd 0001205 |
|
7.541 7.541 20.824 90 90 120 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn .71873 .57764 .99951 .0052 .0055 .0065 .0028 .0000 -.00001 |
|
Zn 0 0 .09995 .0102 .0102 .0099 .0051 0 0 |
|
O1 .52817 .62287 .04701 .0094 .0065 .0076 .0041 .0007 -.0003 |
|
O2 .26021 .20621 .05036 .0098 .0087 .0089 .0054 .0012 -.0008 |
|
O3 0 0 .71224 .0095 .0095 .0063 .00475 0 0 |
|
Wat4 .17910 .92996 .16463 .0169 .0166 .0128 .0069 -.0019 .0007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lithiophorite |
|
Post J E, Appleman D E |
|
American Mineralogist 79 (1994) 370-374 |
|
Crystal structure refinement of lithiophorite |
|
Note: U(1,2) for Mn/Al/Li/O2 have been altered to match symmetry constraints. |
|
_database_code_amcsd 0001641 |
|
2.9247 2.9247 28.169 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn 0 0 0 .0131 .0131 .0158 .00655 0 0 |
|
Al 1/3 2/3 1/6 .65 .0073 .0073 .0128 .00365 0 0 |
|
Li 1/3 2/3 1/6 .33 .0073 .0073 .0128 .00365 0 0 |
|
O1 2/3 1/3 .0343 .0224 .0224 .0182 .0112 0 0 |
|
O2 2/3 1/3 .1319 .0217 .0217 .0129 .01085 0 0 |
|
H 2/3 1/3 .099 .12 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Minehillite |
|
Dai Y S, Post J E, Appleman D E |
|
American Mineralogist 80 (1995) 173-178 |
|
Crystal structure of minehillite: Twinning and structural relationships to |
|
reyerite |
|
_database_code_amcsd 0001716 |
|
9.777 9.777 33.293 90 90 120 P-3c1 |
|
atom x y z occ Uiso |
|
K 0 0 .25 .948 .0231 |
|
Zn 0 .49431 .25 .802 .0098 |
|
Al 1/3 2/3 .25112 .0080 |
|
Ca1 1/3 2/3 .11288 .0098 |
|
Ca2 .91036 .38794 .11169 .0100 |
|
Ca3 .75653 -.05187 .09618 .0113 |
|
Si1 2/3 1/3 .03155 .0074 |
|
Si2 .7581 .1246 .18744 .0076 |
|
Si3 .8727 .2386 .31193 .0071 |
|
Si4 .8934 .2080 .02173 .0079 |
|
Oh1 0 0 .1229 .015 |
|
O2 2/3 1/3 .0793 .0107 |
|
Oh3 .1000 .6077 .07794 .0121 |
|
O4 .7246 -.0516 .19881 .0129 |
|
O5 .5871 -.2682 .14137 .0122 |
|
O6 .1729 .5100 .21832 .0104 |
|
O7 .2949 .0565 .19824 .0155 |
|
O8 .5135 .3478 .21654 .0106 |
|
O9 .4103 .2746 .14053 .0118 |
|
O10 .2600 .2371 .01397 .0134 |
|
O11 .5035 .1897 .01354 .0135 |
|
O12 .2654 .0464 .06664 .0136 |
|
H1 0 0 .141 .02 |
|
H2 .115 .610 .059 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tridymite |
|
Konnert J H, Appleman D E |
 |
Acta Crystallographica B34 (1978) 391-403 |
|
The crystal structure of low tridymite |
|
Locality: Plumas County, California, USA |
|
_database_code_amcsd 0009625 |
|
9.932 17.216 81.864 90.0 90.0 90.0 F1 |
|
atom x y z Biso |
|
Si11 .06049 .03633 .03414 .61 |
|
Si12 .56126 .03679 .03371 .61 |
|
Si13 -.02022 .19793 .01846 .61 |
|
Si14 .23025 .28978 .02831 .61 |
|
Si15 .48204 .19712 .01779 .61 |
|
Si16 .72606 .29128 .02822 .61 |
|
Si17 .31136 .46063 .01895 .61 |
|
Si18 .81084 .46158 .01933 .61 |
|
Si21 .01300 .05235 .07211 .61 |
|
Si22 .48576 .03038 .07135 .61 |
|
Si23 -.01645 .22688 .07960 .61 |
|
Si24 .23070 .31107 .06598 .61 |
|
Si25 .46080 .20317 .07936 .61 |
|
Si26 .71072 .28419 .06591 .61 |
|
Si27 .25859 .46761 .08318 .61 |
|
Si28 .73949 .44146 .08340 .61 |
|
Si31 .05429 .04645 .12921 .61 |
|
Si32 .55652 .04513 .12951 .61 |
|
Si33 -.02557 .21178 .11701 .61 |
|
Si34 .22884 .28380 .13270 .61 |
|
Si35 .48158 .21099 .11717 .61 |
|
Si36 .72795 .28732 .13375 .61 |
|
Si37 .30672 .45008 .12047 .61 |
|
Si38 .80469 .45095 .12077 .61 |
|
Si41 -.00806 .05747 .16665 .61 |
|
Si42 .51258 .03123 .16666 .61 |
|
Si43 -.03431 .21530 .18369 .61 |
|
Si44 .24039 .27072 .17021 .61 |
|
Si45 .48592 .18696 .18403 .61 |
|
Si46 .71198 .29733 .17140 .61 |
|
Si47 .26630 .44539 .17770 .61 |
|
Si48 .73858 .47061 .17894 .61 |
|
Si51 .04792 .03540 .23125 .61 |
|
Si52 .54997 .03394 .23180 .61 |
|
Si53 -.03233 .20609 .22157 .61 |
|
Si54 .22078 .30081 .23164 .61 |
|
Si55 .46402 .20260 .22158 .61 |
|
Si56 .71696 .29734 .23155 .61 |
|
Si57 .29700 .46113 .21579 .61 |
|
Si58 .79829 .45915 .21663 .61 |
|
Si61 -.00500 .03156 .26833 .61 |
|
Si62 .49360 .02861 .26878 .61 |
|
Si63 -.07624 .20251 .27784 .61 |
|
Si64 .17311 .29695 .26892 .61 |
|
Si65 .42106 .20037 .27810 .61 |
|
Si66 .67164 .29420 .26879 .61 |
|
Si67 .24310 .45700 .28464 .61 |
|
Si68 .74099 .45386 .28401 .61 |
|
Si71 -.01127 .05741 .33366 .61 |
|
Si72 .51099 .03461 .33274 .61 |
|
Si73 -.03549 .21523 .31602 .61 |
|
Si74 .23592 .27164 .33012 .61 |
|
Si75 .48141 .19216 .31597 .61 |
|
Si76 .71254 .29525 .32940 .61 |
|
Si77 .26507 .44681 .32239 .61 |
|
Si78 .73711 .46883 .32151 .61 |
|
Si81 .05402 .04624 .37071 .61 |
|
Si82 .55433 .04489 .37002 .61 |
|
Si83 -.02367 .20997 .38348 .61 |
|
Si84 .22606 .28414 .36728 .61 |
|
Si85 .47769 .20929 .38290 .61 |
|
Si86 .72917 .28317 .36679 .61 |
|
Si87 .30406 .44985 .37919 .61 |
|
Si88 .80457 .44962 .37903 .61 |
|
Si91 .01089 .04822 .42801 .61 |
|
Si92 .49177 .02779 .42869 .61 |
|
Si93 -.01648 .22402 .42095 .61 |
|
Si94 .23522 .30330 .43401 .61 |
|
Si95 .46602 .20096 .42080 .61 |
|
Si96 .71384 .28565 .43382 .61 |
|
Si97 .26175 .45878 .41648 .61 |
|
Si98 .74321 .44246 .41648 .61 |
|
Si101 .00089 .03822 .46580 .61 |
|
Si102 .50365 .03917 .46628 .61 |
|
Si103 -.06794 .19996 .48037 .61 |
|
Si104 .18252 .29559 .47201 .61 |
|
Si105 .43200 .20000 .48127 .61 |
|
Si106 .68040 .29548 .47172 .61 |
|
Si107 .25501 .46482 .48221 .61 |
|
Si108 .75445 .46519 .48184 .61 |
|
O121 .02331 .02880 .05321 |
|
O122 .53202 .03557 .05282 |
|
O123 .18855 .30450 .04704 |
|
O124 .68116 .30149 .04695 |
|
O231 -.06621 .22910 .09828 |
|
O232 .45120 .22872 .09819 |
|
O233 .28736 .43393 .10126 |
|
O234 .78692 .42769 .10194 |
|
O341 .03987 .06824 .14807 |
|
O342 .53585 .06510 .14851 |
|
O343 .19016 .26991 .15158 |
|
O344 .69419 .27038 .15271 |
|
O451 -.06233 .19435 .20250 |
|
O452 .43292 .18790 .20259 |
|
O453 .27472 .47082 .19647 |
|
O454 .79075 .46998 .19732 |
|
O561 .03607 .00890 .24997 |
|
O562 .54753 .00924 .25073 |
|
O563 .20233 .32513 .25050 |
|
O564 .69557 .32268 .25029 |
|
O671 -.06081 .19694 .29712 |
|
O672 .43250 .19703 .29745 |
|
O673 .28913 .46581 .30342 |
|
O674 .78507 .46136 .30288 |
|
O781 .03549 .07231 .35209 |
|
O782 .54098 .06541 .35093 |
|
O783 .18331 .26704 .34864 |
|
O784 .69788 .26518 .34786 |
|
O891 -.06560 .22485 .40227 |
|
O892 .44709 .22556 .40200 |
|
O893 .28665 .42878 .39814 |
|
O894 .79172 .43183 .39803 |
|
O1091 .02675 .02229 .44667 |
|
O1092 .53965 .02918 .44729 |
|
O1093 .19695 .30664 .45287 |
|
O1094 .68300 .30920 .45242 |
|
O1011 -.05068 .17436 .49912 |
|
O1012 .45126 .17230 .49990 |
|
O1013 .28663 .48885 .50083 |
|
O1014 .78581 .48869 .50049 |
|
O11 -.03453 -.02233 .02397 |
|
O12 .21504 .01065 .03152 |
|
O13 .46516 -.02383 .02440 |
|
O14 .71548 .00966 .03108 |
|
O15 .03828 .12458 .02849 |
|
O16 .54350 .12344 .02711 |
|
O17 -.15552 .22774 .02709 |
|
O18 .09752 .26258 .01843 |
|
O19 .34720 .22544 .02695 |
|
O110 .59632 .26374 .01782 |
|
O111 .28313 .36924 .02027 |
|
O112 .77913 .37097 .02058 |
|
O21 -.13521 .03536 .07910 |
|
O22 .12074 .00451 .08279 |
|
O23 .36614 -.03305 .07245 |
|
O24 .60971 .00404 .08268 |
|
O25 .04317 .14369 .07451 |
|
O26 .42613 .11183 .07778 |
|
O27 -.13907 .25131 .06786 |
|
O28 .10255 .29035 .07728 |
|
O29 .35300 .25204 .06899 |
|
O210 .60949 .21645 .07209 |
|
O211 .27766 .39862 .07004 |
|
O212 .68080 .36035 .07652 |
|
O31 -.03956 -.02582 .12417 |
|
O32 .20800 .02253 .12546 |
|
O33 .45876 -.02388 .12378 |
|
O34 .71016 .01902 .12657 |
|
O35 .01672 .12187 .11855 |
|
O36 .53102 .12274 .11909 |
|
O37 -.15153 .23020 .12863 |
|
O38 .09963 .26688 .12146 |
|
O39 .34668 .22426 .12767 |
|
O310 .59670 .27066 .12288 |
|
O311 .27857 .37158 .13039 |
|
O312 .77435 .37635 .13196 |
|
O41 -.12477 -.00657 .16729 |
|
O42 .11944 .03418 .17769 |
|
O43 .36308 -.00436 .16748 |
|
O44 .61930 -.03701 .17025 |
|
O45 -.06677 .13958 .17288 |
|
O46 .53602 .10036 .17960 |
|
O47 -.13692 .28276 .17792 |
|
O48 .11713 .24625 .18189 |
|
O49 .36134 .20851 .17220 |
|
O410 .60790 .24769 .18233 |
|
O411 .29727 .35425 .17561 |
|
O412 .67902 .38824 .17331 |
|
O51 -.04879 -.01691 .21988 |
|
O52 .20109 .02038 .22560 |
|
O53 .45224 -.02256 .22162 |
|
O54 .70138 .02185 .22520 |
|
O55 .01610 .12601 .22966 |
|
O56 .50938 .12330 .23024 |
|
O57 -.16976 .23072 .23071 |
|
O58 .07875 .27201 .22448 |
|
O59 .32898 .23136 .23066 |
|
O510 .57759 .26756 .22387 |
|
O511 .26947 .37294 .22080 |
|
O512 .76357 .37077 .22090 |
|
O61 -.13495 -.01919 .27293 |
|
O62 .11728 .01166 .28050 |
|
O63 .36767 -.02723 .27257 |
|
O64 .61405 .01162 .28149 |
|
O65 -.04016 .12214 .26904 |
|
O66 .44879 .11770 .26981 |
|
O67 -.23071 .22311 .27351 |
|
O68 .01841 .26978 .27030 |
|
O69 .26732 .22413 .27369 |
|
O610 .51778 .26532 .27027 |
|
O611 .20067 .36812 .28124 |
|
O612 .69288 .36573 .28107 |
|
O71 -.13170 -.00455 .33348 |
|
O72 .11483 .03043 .32267 |
|
O73 .36017 .00074 .33242 |
|
O74 .61297 -.03472 .32792 |
|
O75 -.06702 .13839 .32644 |
|
O76 .53016 .10446 .31991 |
|
O77 -.13852 .28144 .32215 |
|
O78 .11564 .24608 .31821 |
|
O79 .35817 .21043 .32810 |
|
O710 .60566 .25037 .31821 |
|
O711 .29305 .35586 .32543 |
|
O712 .68387 .38747 .32871 |
|
O81 -.04270 -.02487 .37553 |
|
O82 .20763 .01843 .37297 |
|
O83 .45804 -.02593 .37506 |
|
O84 .70792 .01982 .37353 |
|
O85 .02510 .12080 .38207 |
|
O86 .52151 .12008 .38091 |
|
O87 -.15424 .22357 .37223 |
|
O88 .09630 .26815 .37864 |
|
O89 .34475 .22541 .37221 |
|
O810 .59553 .26715 .37730 |
|
O811 .27131 .37337 .36860 |
|
O812 .77472 .37183 .36876 |
|
O91 -.13518 .02894 .42062 |
|
O92 .12484 .00585 .41725 |
|
O93 .37026 -.03506 .42775 |
|
O94 .61250 -.00547 .41758 |
|
O95 .03729 .14034 .42652 |
|
O96 .43439 .10910 .42224 |
|
O97 -.13450 .25449 .43264 |
|
O98 .10837 .28407 .42256 |
|
O99 .35841 .24435 .43203 |
|
O910 .61450 .21651 .42794 |
|
O911 .28704 .38952 .42918 |
|
O912 .68536 .35960 .42246 |
|
O101 -.11012 -.02326 .47172 |
|
O102 .13973 .02249 .47529 |
|
O103 .38978 -.02228 .47128 |
|
O104 .64061 .02355 .47609 |
|
O105 -.04298 .12673 .46855 |
|
O106 .45817 .12756 .46933 |
|
O107 -.22182 .22704 .47767 |
|
O108 .02843 .27144 .47573 |
|
O109 .27839 .22882 .47931 |
|
O1010 .52864 .27213 .47694 |
|
O1011 .20922 .37595 .48142 |
|
O1012 .71419 .37524 .48105 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Morimoto N, Appleman D E, Evans H T |
|
Zeitschrift fur Kristallographie 114 (1960) 120-147 |
|
The crystal structures of clinoenstatite and pigeonite |
|
Locality: Asio Mine, Japan |
|
_database_code_amcsd 0010588 |
|
9.731 8.953 5.256 90 71.45 90 P2_1/c |
|
atom x y z occ Biso |
|
Ca1 .246 .981 .231 .2 .98 |
|
Fe1 .246 .981 .231 .8 .98 |
|
Fe2 .251 .344 .236 .32 .855 |
|
Mg2 .251 .344 .236 .68 .855 |
|
Si1 .453 .661 .274 .62 |
|
Si2 .049 .662 .252 .765 |
|
O1A .372 .168 .315 1.17 |
|
O1B .127 .166 .161 .595 |
|
O2A .378 .506 .323 .885 |
|
O2B .125 .508 .147 1.085 |
|
O3A .395 .773 .070 .51 |
|
O3B .108 .782 -.006 .47 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Morimoto N, Appleman D E, Evans H T |
|
Zeitschrift fur Kristallographie 114 (1960) 120-147 |
|
The crystal structures of clinoenstatite and pigeonite |
|
Locality: Bishopville, South Carolina meteorite, heat-treated |
|
_database_code_amcsd 0010589 |
|
9.620 8.825 5.188 90 71.67 90 P2_1/c |
|
atom x y z Biso |
|
Mg2 .247 .347 .220 .225 |
|
Mg1 .242 .986 .193 .25 |
|
Si1 .457 .658 .294 .33 |
|
Si2 .053 .661 .264 .475 |
|
O1A .362 .156 .320 .61 |
|
O1B .124 .159 .112 .855 |
|
O2A .377 .498 .298 1.61 |
|
O2B .137 .518 .103 .665 |
|
O3A .395 .775 .101 .70 |
|
O3B .105 .813 .051 .40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vayrynenite |
|
Mrose M E, Appleman D E |
|
Zeitschrift fur Kristallographie 117 (1962) 16-36 |
|
The crystal structures and crystal chemistry of vayrynenite, |
|
(Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) |
|
Locality: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland |
|
_database_code_amcsd 0010590 |
|
5.411 14.49 4.730 90 102.75 90 P2_1/a |
|
atom x y z occ Biso |
|
Mn .248 .4390 .940 .85 .51 |
|
Fe .248 .4390 .940 .15 .51 |
|
Be .431 .2640 .783 .65 |
|
P .195 .1045 .539 .23 |
|
O1 .366 .0401 .753 .59 |
|
O2 .463 .3662 .654 .39 |
|
O3 .346 .1932 .506 .46 |
|
O4 .106 .0600 .245 .59 |
|
OH .212 .2765 .969 .74 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Euclase |
|
Mrose M E, Appleman D E |
|
Zeitschrift fur Kristallographie 117 (1962) 16-36 |
|
The crystal structures and crystal chemistry of vayrynenite, |
|
(Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) |
|
Locality: Villa Rica, Minas Gerais, Brazil |
|
_database_code_amcsd 0010591 |
|
4.763 14.29 4.618 90 100.25 90 P2_1/a |
|
atom x y z Biso |
|
Al .249 .4447 .957 .10 |
|
Be .176 .3000 .470 .46 |
|
Si .177 .1002 .539 .06 |
|
O1 .380 .0321 .761 .18 |
|
O2 .380 .3767 .650 .21 |
|
O3 .346 .2000 .520 .20 |
|
O4 .100 .0529 .215 .27 |
|
OH .158 .3324 .118 .42 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gerstleyite |
|
Nakai I, Appleman D E |
| |
Chemistry Letters 1981 (1981) 1327-1330 |
|
The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: |
|
the first sulfosalt mineral of sodium |
|
Locality: Baker mine, Kern County, Boron, California, USA |
|
_database_code_amcsd 0012197 |
|
9.911 23.05 7.097 90 127.85 90 Cm |
|
atom x y z occ Biso |
|
Na .0103 .4255 .0224 4.40 |
|
Sb1 .4128 .4059 .7933 .83 1.77 |
|
As1 .4128 .4059 .7933 .17 1.77 |
|
Sb2 .0859 .1685 .5034 .98 1.51 |
|
As2 .0859 .1685 .5034 .02 1.51 |
|
Sb3 .4846 .1690 .5155 .91 1.41 |
|
As3 .4846 .1690 .5155 .09 1.41 |
|
Sb4 .4935 .2461 .9829 .88 1.64 |
|
As4 .4935 .2461 .9829 .12 1.64 |
|
S1 0 0 0 2.32 |
|
S2 .4681 .4261 .5159 2.46 |
|
S3 .2621 .1050 .4541 2.03 |
|
S4 .1107 .4246 .5248 3.08 |
|
S5 .2890 .1746 .9451 1.56 |
|
S6 .1605 .3286 .9551 2.38 |
|
S7 .3152 .2756 .5757 1.69 |
|
Wat1 .342 0 .986 5.09 |
|
Wat2 .159 .5 .981 3.39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bracewellite |
|
Milton C, Appleman D E, Appleman M H, Chao E C T, Cuttita F, |
|
Dinnin J I, Dwornik E J, Ingram B L, Rose H J |
| |
U.S. Geological Survey Professional Paper 887 (1976) 1-29 |
|
Merumite, a complex assemblage of chromium minerals from Guyana |
|
Locality: Guyana |
|
_database_code_amcsd 0015707 |
|
4.492 9.860 2.974 90 90 90 Pbnm |
|
atom x y z |
|
Cr -.052 .145 .25 |
|
O1 .301 -.197 .25 |
|
OH2 -.198 -.054 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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