|
Ferro-axinite |
 |
Swinnea J S, Steinfink H, Rendon-DiazMiron L E, Enciso de la Vega S |
 |
American Mineralogist 66 (1981) 428-431 |
|
The crystal structure of a Mexican axinite |
|
_database_code_amcsd 0000831 |
|
7.1437 9.1898 8.9529 91.857 98.188 77.359 P-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .74651 .34816 .39493 .00234 .00147 .00191 -.00040 -.00030 .00028 |
|
Ca2 .18294 .10044 .08371 .00364 .00185 .00182 -.00093 -.00073 .00047 |
|
Fe .76770 .59145 .11264 .550 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Mn .76770 .59145 .11264 .130 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Mg .76770 .59145 .11264 .185 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Ti .76770 .59145 .11264 .005 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
K .76770 .59145 .11264 .022 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Na .76770 .59145 .11264 .065 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Al1 .05263 .80053 .25405 .00153 .00094 .00092 -.00041 .00001 .00002 |
|
Al2 .35181 .93599 .42106 .893 .00135 .00089 .00091 -.00047 -.00011 -.00008 |
|
Fe2 .35181 .93599 .42106 .107 .00135 .00089 .00091 -.00047 -.00011 -.00008 |
|
B .4615 .6344 .2870 .00177 .00125 .00138 -.00013 -.00015 .00002 |
|
H .9895 .9604 .6299 2.37 |
|
Si1 .21049 .44986 .23373 .00202 .00100 .00110 -.00043 -.00013 .00007 |
|
Si2 .21891 .27461 .52317 .00149 .00099 .00107 -.00041 -.00005 .00003 |
|
Si3 .69874 .25668 .01148 .00200 .00163 .00100 -.00020 .00005 .00016 |
|
Si4 .64154 .01907 .23042 .00163 .00113 .00103 -.00046 .00011 .00000 |
|
O1 .0533 .6031 .1900 .00294 .00122 .00206 -.00042 -.00016 .00002 |
|
O2 .2317 .3388 .0949 .00446 .00187 .00215 -.00074 .00023 -.00041 |
|
O3 .4188 .4869 .3119 .00250 .00145 .00210 -.00082 -.00035 .00030 |
|
O4 .1356 .3716 .3692 .00353 .00299 .00194 -.00106 -.00022 .00141 |
|
O5 .0213 .2425 .5639 .00255 .00203 .00150 -.00080 .00021 .00029 |
|
O6 .3265 .3803 .6448 .00171 .00160 .00202 .00039 -.00043 -.00037 |
|
O7 .3810 .1275 .4958 .00205 .00119 .00174 -.00036 .00016 -.00025 |
|
O8 .5347 .3437 .8769 .00281 .00199 .00135 -.00018 .00033 .00030 |
|
O9 .8762 .1554 .9337 .00255 .00172 .00151 -.00022 .00029 .00005 |
|
O10 .7683 .3680 .1386 .00401 .00213 .00182 -.00063 .00016 -.00021 |
|
O11 .6038 .1348 .0874 .00380 .00246 .00206 -.00102 .00012 .00093 |
|
O12 .4360 .9813 .2442 .00265 .00180 .00151 -.00084 .00020 .00017 |
|
O13 .7211 .0995 .3847 .00259 .00167 .00144 -.00086 .00014 -.00010 |
|
O14 .7937 .8740 .1775 .00223 .00192 .00178 -.00032 .00004 .00031 |
|
O15 .3251 .7461 .3546 .00198 .00134 .00148 -.00049 .00020 -.00033 |
|
O16 .0968 .9955 .3223 .00220 .00161 .00174 -.00041 .00053 -.00038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Axinite-(Fe) |
|
Swinnea J S, Steinfink H, Rendon-DiazMiron L E, Enciso de la Vega S |
|
American Mineralogist 66 (1981) 428-431 |
|
The crystal structure of a Mexican axinite |
|
_database_code_amcsd 0000832 |
|
7.1437 9.1898 8.9529 91.857 98.188 77.359 P-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .74651 .34816 .39493 .00234 .00147 .00191 -.00040 -.00030 .00028 |
|
Ca2 .18294 .10044 .08371 .00364 .00185 .00182 -.00093 -.00073 .00047 |
|
Fe .76770 .59145 .11264 .550 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Mn .76770 .59145 .11264 .130 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Mg .76770 .59145 .11264 .185 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Ti .76770 .59145 .11264 .005 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
K .76770 .59145 .11264 .022 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Na .76770 .59145 .11264 .065 .00210 .00245 .00196 -.00068 .00007 .00059 |
|
Al1 .05263 .80053 .25405 .00153 .00094 .00092 -.00041 .00001 .00002 |
|
Al2 .35181 .93599 .42106 .893 .00135 .00089 .00091 -.00047 -.00011 -.00008 |
|
Fe2 .35181 .93599 .42106 .107 .00135 .00089 .00091 -.00047 -.00011 -.00008 |
|
B .4615 .6344 .2870 .00177 .00125 .00138 -.00013 -.00015 .00002 |
|
H .9895 .9604 .6299 2.37 |
|
Si1 .21049 .44986 .23373 .00202 .00100 .00110 -.00043 -.00013 .00007 |
|
Si2 .21891 .27461 .52317 .00149 .00099 .00107 -.00041 -.00005 .00003 |
|
Si3 .69874 .25668 .01148 .00200 .00163 .00100 -.00020 .00005 .00016 |
|
Si4 .64154 .01907 .23042 .00163 .00113 .00103 -.00046 .00011 .00000 |
|
O1 .0533 .6031 .1900 .00294 .00122 .00206 -.00042 -.00016 .00002 |
|
O2 .2317 .3388 .0949 .00446 .00187 .00215 -.00074 .00023 -.00041 |
|
O3 .4188 .4869 .3119 .00250 .00145 .00210 -.00082 -.00035 .00030 |
|
O4 .1356 .3716 .3692 .00353 .00299 .00194 -.00106 -.00022 .00141 |
|
O5 .0213 .2425 .5639 .00255 .00203 .00150 -.00080 .00021 .00029 |
|
O6 .3265 .3803 .6448 .00171 .00160 .00202 .00039 -.00043 -.00037 |
|
O7 .3810 .1275 .4958 .00205 .00119 .00174 -.00036 .00016 -.00025 |
|
O8 .5347 .3437 .8769 .00281 .00199 .00135 -.00018 .00033 .00030 |
|
O9 .8762 .1554 .9337 .00255 .00172 .00151 -.00022 .00029 .00005 |
|
O10 .7683 .3680 .1386 .00401 .00213 .00182 -.00063 .00016 -.00021 |
|
O11 .6038 .1348 .0874 .00380 .00246 .00206 -.00102 .00012 .00093 |
|
O12 .4360 .9813 .2442 .00265 .00180 .00151 -.00084 .00020 .00017 |
|
O13 .7211 .0995 .3847 .00259 .00167 .00144 -.00086 .00014 -.00010 |
|
O14 .7937 .8740 .1775 .00223 .00192 .00178 -.00032 .00004 .00031 |
|
O15 .3251 .7461 .3546 .00198 .00134 .00148 -.00049 .00020 -.00033 |
|
O16 .0968 .9955 .3223 .00220 .00161 .00174 -.00041 .00053 -.00038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vonsenite |
|
Swinnea J S, Steinfink H |
|
American Mineralogist 68 (1983) 827-832 |
|
Crystal structure and Mossbauer spectrum of vonsenite, 2FeO*FeBO3 |
|
_database_code_amcsd 0000909 |
|
9.463 12.305 3.0727 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 .0 .0012 .00077 0.0223 -.00033 0 0 |
|
Fe2 .5 0 .5 .0041 .00074 0.0140 -.00065 0 0 |
|
Fe3 .0004 .27416 .0 .00126 .00070 0.0193 0.00018 0 0 |
|
Fe4 .7443 .38768 .5 .00133 .00089 0.0144 0.00023 0 0 |
|
B1 .2683 .3608 .5 .0030 .0008 0.0119 -.0007 0 0 |
|
O1 .8431 .0422 .5 .0014 .0007 0.0277 -.0002 0 0 |
|
O2 .3876 .0787 .0 .0015 .0008 0.0222 0.0003 0 0 |
|
O3 .6227 .1382 .5 .0012 .0006 0.0276 -.0004 0 0 |
|
O4 .1129 .1409 .0 .0011 .0007 0.0261 0.0001 0 0 |
|
O5 .8402 .2365 .5 .0011 .0009 0.0259 -.0002 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
|
| |
|
Fuloppite |
|
Swinnea J S, Tenorio A J, Steinfink H |
|
American Mineralogist 70 (1985) 1056-1058 |
|
Sb10S15, a Pb-free analogue of fueloeppite, Pb3Sb8S15 |
|
_database_code_amcsd 0001002 |
|
13.393 11.717 16.737 90 93.8 90 C2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sb1 .3755 .145 .4952 .0257 .0308 .0267 -.0036 .0068 -.0013 |
|
Sb2 .4091 .1811 .1536 .0211 .0228 .0200 .0027 .0011 .0013 |
|
Sb3 .0884 .0523 .415 .852 .0492 .0342 .0451 -.0053 .0238 -.0146 |
|
Sb4 .1415 .2495 .0637 .0160 .0279 .0181 .0014 -.0002 -.0025 |
|
Sb5 .3027 .4445 .341 .773 .0483 .0600 .0420 -.0141 .0194 -.0211 |
|
Sb6 0 .3977 .25 .58 .0497 .0434 .0796 0 -.0144 0 |
|
S1 .352 .0442 .251 .0574 .0256 .0264 -.0018 .0028 .0065 |
|
S2 0 .8109 .25 .0209 .0283 .0297 0 -.0075 0 |
|
S3 .264 .0264 .0364 .0240 .0199 .0317 .0018 .0054 .0055 |
|
S4 .1912 .2464 .395 .0243 .0263 .0329 -.0006 .0034 -.0090 |
|
S5 .4656 .364 .4619 .0240 .0227 .0255 .0036 .0006 -.0025 |
|
S6 .0284 .4136 .0878 .0200 .0226 .0211 -.0005 -.0025 -.0055 |
|
S7 .0732 .1295 .1677 .0243 .0257 .0217 -.0031 .0023 .0022 |
|
S8 .2739 .3207 .1618 .0196 .0296 .0262 .0014 -.0075 -.0079 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Miser D E, Swinnea J S, Steinfink H |
|
American Mineralogist 72 (1987) 188-193 |
|
TEM observations and X-ray crystal-structure refinement of a twinned dolomite |
|
with a modulated microstructure |
|
_database_code_amcsd 0001065 |
|
4.811 4.811 16.047 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) |
|
Ca 0 0 0 .0108 .0108 .0113 .0054 0 0 |
|
Mg 0 0 .5 .0069 .0069 .0098 .00345 0 0 |
|
C 0 0 .2430 .0099 .0099 .0080 .00495 0 0 |
|
O .2476 .9650 .2441 .0096 .0140 .0167 .0072 -.0023 -.0030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Carlson W D, Swinnea J S, Miser D E |
|
American Mineralogist 73 (1988) 1255-1263 |
|
Stability of orthoenstatite at high temperature and low pressure |
|
_database_code_amcsd 0001201 |
|
18.280 8.834 5.197 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3756 .6539 .8684 .0068 .0071 .0064 .0003 -.0011 .0002 |
|
Mg2 .3769 .4846 .3627 .948 .0093 .0132 .0074 -.0021 -.0019 -.0017 |
|
Ca2 .3769 .4846 .3627 .052 .0093 .0132 .0074 -.0021 -.0019 -.0017 |
|
SiA .2715 .3416 .0495 .0049 .0053 .0061 -.0006 .0005 -.0004 |
|
SiB .4741 .3379 .7967 .0052 .0060 .0059 .0006 .0002 .0002 |
|
O1A .1834 .3399 .0371 .0049 .0082 .0062 -.0001 .0001 -.0005 |
|
O2A .3107 .5019 .0435 .0085 .0075 .0073 -.0016 -.0010 .0011 |
|
O3A .3027 .2249 -.1714 .0075 .0103 .0089 -.0005 .0016 -.0044 |
|
O1B .5627 .3403 .7981 .0052 .0089 .0073 -.0001 -.0012 .0001 |
|
O2B .4335 .4844 .6933 .0103 .0098 .0099 .0033 .0015 .0030 |
|
O3B .4478 .1986 .5988 .0082 .0114 .0090 -.0003 -.0004 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba0.87 Bi K0.13 O3 |
| |
Wignacourt J, Swinnea J, Steinfink H, Goodenough J |
| |
Applied Physics Letters 53 (1988) 1753-1755 |
|
Oxygen atom thermal vibration anisotropy in Ba0.87 K0.13 Bi O3. |
|
_cod_database_code 1004099 |
|
_database_code_amcsd 0012034 |
|
4.3223 4.3223 4.3223 90 90 90 Pm3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 0 0 .435 .0075 .0075 .0075 0 0 0 |
|
Bi2 0 0 0 .565 .0075 .0075 .0075 0 0 0 |
|
K1 .5 .5 .5 .13 .0138 .0138 .0138 0 0 0 |
|
Ba1 .5 .5 .5 .87 .0138 .0138 .0138 0 0 0 |
|
O1 .5 0 0 .0154 .0665 .0665 0 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
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
