American Mineralogist Crystal Structure Database

16 matching records for this search.

Clinoenstatite
Download hom/clinoenstatite.pdf
Angel R J, Gasparik T, Finger L W
Download am/vol74/AM74_599.pdf
American Mineralogist 74 (1989) 599-603
Crystal structure of a Cr-bearing pyroxene
Sample: Mg1.4Cr.6Si2O6
Locality: synthetic
_database_code_amcsd 0001244
9.713 8.910 5.238 90 109.41 90 P2_1/c
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .2506 .6537 .2253 .946 0.0019 0.0021 0.0034  .0001  .0004  .0008
Cr1  .2506 .6537 .2253 .054 0.0019 0.0021 0.0034  .0001  .0004  .0008
Mg2  .2528 .0162 .2209 .479 0.0019 0.0019 0.0044  .0005  .0003  .0002
Cr2  .2528 .0162 .2209 .521 0.0019 0.0019 0.0044  .0005  .0003  .0002
SiA  .0456 .3387 .2891 .983 0.0020 0.0020 0.0040 -.0003  .0011  .0001
CrA  .0456 .3387 .2891 .017 0.0020 0.0020 0.0040 -.0003  .0011  .0001
SiB  .5493 .8381 .2437 .981 0.0012 0.0017 0.0043  .0002  .0002  .0002
CrB  .5493 .8381 .2437 .019 0.0012 0.0017 0.0043  .0002  .0002  .0002
O1A  .8694 .3347 .1748      0.0020 0.0030  0.005  .0008  .0004   .001
O2A  .1226 .4984 .3269      0.0024 0.0011  0.006 -.0007  .0016  -.001
O3A  .1092 .2753 .6055      0.0021 0.0020  0.002 -.0007 -.0002  .0012
O1B  .3726 .8399 .1336      0.0009 0.0023  0.003 -.0006  .0000   .000
O2B  .6321 .9871 .3820      0.0034 0.0017  0.008 -.0010  .0034  -.001
O3B  .6021 .7066 .4834      0.0013 0.0025  0.003  .0000 -.0015  .0013
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien1 T = 1038 deg C
Locality: synthetic
_database_code_amcsd 0002799
9.773 8.962 5.271 90 108.99 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86851 .33792 .17346     .02453 .02270 .02279 .02392  .00603 .00185 -.00022
O1B  .37326 .84298 .13288     .02440 .01854 .03292 .02364  .00073 .00944  .00263
O2A  .12306 .49709 .33023     .03242 .03611 .02643 .03503 -.01207 .01199 -.01426
O2B  .62729 .98937 .37205     .04033 .03885 .03969 .04646 -.01300 .01940 -.00072
O3A  .10337 .26371 .58561     .03129 .01962 .03966 .03383 -.00139 .00765  .01987
O3B  .60188 .71307 .48527     .03133 .02920 .03944 .02786  .00495 .01272  .01246
SiA  .04316 .33983 .27886     .01932 .01836 .01747 .02239 -.00196 .00700  .00228
SiB  .54744 .84026 .24409     .02209 .01627 .02454 .02556 -.00322 .00695 -.00196
Mg1  .24987 .65144 .23118     .02581 .02716 .02629 .02310 -.00454 .00695  .00247
Mg2  .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479  .00308 .00362  .00580
Ca2  .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479  .00308 .00362  .00580
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien1 T = 25 deg C
Locality: synthetic
_database_code_amcsd 0002800
9.651 8.846 5.202 90 108.34 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86657 .33948 .17890     .00662 .00494 .00690 .00789  .00005 .00181  .00066
O1B  .37428 .83968 .12721     .00668 .00494 .00843 .00658  .00005 .00169  .00046
O2A  .12121 .50101 .32229     .00800 .00980 .00567 .00908 -.00218 .00377 -.00030
O2B  .63154 .98539 .38134     .01184 .01156 .00931 .01722 -.00530 .00822 -.00598
O3A  .10505 .27466 .60141     .01017 .00700 .01225 .01143  .00084 .00314  .00524
O3B  .60473 .70086 .46442     .01001 .00686 .01411 .00909  .00095 .00255  .00505
SiA  .04243 .34128 .28683     .00555 .00529 .00501 .00701 -.00049 .00286 -.00051
SiB  .55079 .83814 .23243     .00561 .00533 .00528 .00662 -.00079 .00245 -.00065
Mg1  .25088 .65386 .22278     .00694 .00693 .00705 .00690 -.00003 .00227  .00070
Mg2  .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911  .00380 .00257  .00467
Ca2  .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911  .00380 .00257  .00467
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 25 deg C
Locality: synthetic
_database_code_amcsd 0002801
9.651 8.846 5.202 90 108.38 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86654 .33948 .17873     .00580 .00462 .00691 .00576 -.00039 .00148  .00063
O1B  .37433 .83963 .12772     .00613 .00485 .00782 .00577  .00024 .00173 -.00011
O2A  .12099 .50111 .32199     .00696 .00807 .00544 .00744 -.00177 .00256  .00011
O2B  .63185 .98529 .38213     .01077 .01096 .00879 .01507 -.00394 .00770 -.00468
O3A  .10514 .27488 .60177     .00895 .00587 .01133 .00964  .00057 .00245  .00488
O3B  .60463 .70100 .46426     .00940 .00656 .01388 .00809  .00099 .00278  .00498
SiA  .04237 .34128 .28684     .00476 .00442 .00493 .00526 -.00039 .00200 -.00029
SiB  .55077 .83808 .23258     .00481 .00489 .00454 .00537 -.00092 .00216 -.00110
Mg1  .25087 .65381 .22287     .00589 .00619 .00638 .00485  .00042 .00140  .00081
Mg2  .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807  .00389 .00217  .00436
Ca2  .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807  .00389 .00217  .00436
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View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 500 deg C
Locality: synthetic
_database_code_amcsd 0002802
9.702 8.903 5.228 90 108.58 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86787 .33936 .17583     .01344 .01116 .01636 .01215  .00051 .00277  .00092
O1B  .37361 .84055 .12950     .01439 .01158 .01779 .01337  .00056 .00339 -.00113
O2A  .12166 .49977 .32593     .01669 .01970 .01221 .01864 -.00565 .00678 -.00106
O2B  .63063 .98561 .37802     .02159 .02271 .01862 .02613 -.00892 .01157 -.00709
O3A  .10420 .27096 .59479     .01976 .01449 .02546 .01936 -.00050 .00543  .00943
O3B  .60331 .70554 .47150     .01895 .01617 .02381 .01785  .00308 .00678  .00876
SiA  .04254 .34090 .28445     .01075 .01050 .01105 .01145 -.00124 .00454 -.00106
SiB  .54985 .83826 .23615     .01066 .01050 .01029 .01172 -.00119 .00429 -.00072
Mg1  .25060 .65285 .22641     .01490 .01596 .01404 .01463  .00035 .00480  .00053
Mg2  .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646  .00507 .00394  .00404
Ca2  .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646  .00507 .00394  .00404
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View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 650 deg C
Locality: synthetic
_database_code_amcsd 0002803
9.713 8.913 5.234 90 108.64 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86807 .33954 .17543     .01717 .01259 .02205 .01565 -.00213 .00282 -.00038
O1B  .37321 .84096 .13015     .01491 .01344 .01662 .01427  .00024 .00386 -.00023
O2A  .12149 .49930 .32662     .02036 .02458 .01618 .02138 -.00751 .00883 -.00333
O2B  .63021 .98629 .37674     .02326 .02393 .01912 .02850 -.00742 .01085 -.00684
O3A  .10371 .27021 .59168     .02110 .01794 .02438 .02033 -.00114 .00521  .00996
O3B  .60314 .70639 .47337     .01973 .01803 .02328 .01792  .00399 .00582  .00860
SiA  .04250 .34052 .28366     .01172 .01182 .01240 .01091 -.00126 .00359 -.00098
SiB  .54963 .83857 .23700     .01133 .01181 .01040 .01178 -.00170 .00377 -.00118
Mg1  .25025 .65276 .22705     .01589 .01807 .01629 .01330  .00098 .00501  .00100
Mg2  .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676  .00475 .00326  .00277
Ca2  .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676  .00475 .00326  .00277
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 800 deg C
Locality: synthetic
_database_code_amcsd 0002804
9.739 8.936 5.249 90 108.80 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86828 .33961 .17249     .01942 .01595 .02406 .01797  .00094 .00505  .00149
O1B  .37346 .84123 .13248     .01912 .01476 .02284 .01853  .00146 .00368 -.00057
O2A  .12164 .49858 .32875     .02349 .02631 .01887 .02612 -.00863 .00961 -.00341
O2B  .62975 .98637 .37552     .02678 .03137 .02224 .02992 -.00943 .01431 -.00841
O3A  .10313 .26764 .58800     .02651 .02048 .03486 .02415 -.00056 .00716  .01199
O3B  .60222 .70925 .47905     .02480 .02226 .03067 .02337  .00350 .00998  .01248
SiA  .04294 .34079 .28246     .01375 .01284 .01520 .01384 -.00107 .00518 -.00056
SiB  .54865 .83882 .23917     .01385 .01469 .01415 .01394 -.00138 .00632 -.00078
Mg1  .25051 .65217 .22924     .02020 .02213 .02058 .01778  .00014 .00625  .00025
Mg2  .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157  .00622 .00470  .00261
Ca2  .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157  .00622 .00470  .00261
Download AMC data (View Text File)
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 1000 deg C
Locality: synthetic
_database_code_amcsd 0002805
9.752 8.949 5.255 90 108.84 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86862 .33890 .17197     .02075 .01655 .02735 .01874  .00345 .00625  .00100
O1B  .37311 .84175 .13310     .02136 .01986 .02434 .02009  .00202 .00674  .00018
O2A  .12226 .49844 .33087     .02613 .02956 .01942 .03102 -.00833 .01199 -.00410
O2B  .62858 .98692 .37344     .03082 .03185 .02848 .03628 -.01373 .01675 -.00999
O3A  .10324 .26674 .58704     .02842 .02092 .03935 .02482  .00030 .00715  .01704
O3B  .60230 .71138 .48337     .02867 .02675 .03591 .02514  .00777 .01085  .01352
SiA  .04317 .34038 .28182     .01524 .01501 .01670 .01515 -.00186 .00645 -.00167
SiB  .54817 .83878 .24048     .01576 .01547 .01633 .01619 -.00176 .00609 -.00152
Mg1  .25048 .65186 .23090     .02196 .02398 .02230 .01975 -.00015 .00728  .00060
Mg2  .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357  .00768 .00606  .00239
Ca2  .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357  .00768 .00606  .00239
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Clinoenstatite
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Tribaudino M, Nestola F, Meneghini C
Download cm/vol43/CM43_1411.pdf
The Canadian Mineralogist 43 (2005) 1411-1421
Rietveld refinement of clinopyroxenes with intermediate
Ca-content along the join diopside-enstatite
Locality: synthetic
Sample: Di40En60
_database_code_amcsd 0006054
9.7042 8.8805 5.2423 90 108.084 90 P2_1/c
atom     x     y     z occ Biso
Ca2  .2546 .0244 .2309 .40  .66
Mg2  .2546 .0244 .2309 .60  .66
Mg1  .2515 .6543 .2411      .62
SiA  .0411 .3449 .2730      .58
O1A  .8655 .3360 .1522      .51
O2A  .1091 .5109 .3087      .80
O3A  .0933 .2675 .5723     1.31
SiB  .5522 .8429 .2484      .67
O1B  .3771 .8372 .1442      .79
O2B  .6314 .9937 .3826     1.32
O3B  .6009 .7116 .4836     1.12
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Clinoenstatite
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Tribaudino M, Nestola F, Meneghini C
Download cm/vol43/CM43_1411.pdf
The Canadian Mineralogist 43 (2005) 1411-1421
Rietveld refinement of clinopyroxenes with intermediate
Ca-content along the join diopside-enstatite
Locality: synthetic
Sample: Di20En80
_database_code_amcsd 0006055
9.6655 8.8534 5.2138 90 108.349 90 P2_1/c
atom     x     y     z occ Biso
Ca2  .2555 .0186 .2279 .20  .34
Mg2  .2555 .0186 .2279 .80  .34
Mg1  .2517 .6536 .2275      .62
SiA  .0420 .3418 .2842      .58
O1A  .8664 .3392 .1764      .51
O2A  .1159 .5042 .3169      .80
O3A  .1038 .2746 .5941     1.31
SiB  .5498 .8392 .2301      .67
O1B  .3738 .8356 .1305      .79
O2B  .6332 .9847 .3803     1.32
O3B  .6067 .7064 .4677     1.12
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Clinoenstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di15En85 (non-split model)
Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003
Locality: synthetic
_database_code_amcsd 0006929
9.654 8.845 5.203 90 108.37 90 P2_1/c
atom      x      y      z occ Biso
CaM2 .25555 .01762  .2216 .15  .94
MgM2 .25555 .01762  .2216 .85  .94
MgM1 .25081 .65383  .2228     .490
SiTA .04241 .34125 .28688     .392
SiTB .55077 .83805 .23261     .410
O1A   .8665  .3397  .1791      .46
O2A   .1212  .5012  .3221      .57
O3A   .1053  .2751  .6023      .74
O1B   .3745  .8396  .1273      .51
O2B   .6319  .9851  .3825      .83
O3B   .6047  .7006  .4646      .73
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Clinoenstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di15En85 (split model)
Locality: synthetic
_database_code_amcsd 0006930
9.654 8.845 5.203 90 108.37 90 P2_1/c
atom       x      y      z occ Biso
CaM2   .2636  .0395   .238 .15  .65
MgM2   .2535  .0122  .2176 .85  .56
MgM1  .25085 .65377  .2229     .485
SiTA  .04243 .34123 .28681     .390
SiTB  .55078 .83804 .23258     .403
O1A    .8665  .3395  .1792      .46
O2A    .1211  .5012  .3221      .57
O3A*   .1060  .2772  .6070 .85  .52
O3A**  .0996   .258   .566 .15  .52
O1B    .3746  .8395  .1275      .52
O2B*   .6337  .9836  .3878 .85  .50
O2B**  .6121 1.0003   .328 .15  .50
O3B*   .6044  .6977  .4612 .85  .53
O3B**  .6075   .778  -.010 .15  .53
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Clinoenstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di23En77 (non-split model)
Locality: synthetic
_database_code_amcsd 0006931
9.690 8.862 5.229 90 108.31 90 P2_1/c
atom     x     y     z occ Biso
CaM2 .2546 .0222 .2285 .23 1.36
MgM2 .2546 .0222 .2285 .77 1.36
MgM1 .2505 .6539 .2284      .62
SiTA .0415 .3417 .2782      .58
SiTB .5484 .8391 .2348      .67
O1A  .8665 .3396 .1719      .51
O2A  .1183 .5019 .3215      .80
O3A  .1049 .2679 .5874     1.31
O1B  .3727 .8384 .1313      .79
O2B  .6286 .9883 .3714     1.32
O3B  .6048 .7092 .4760     1.12
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Clinoenstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di23En77 (split model)
Locality: synthetic
_database_code_amcsd 0006932
9.690 8.862 5.229 90 108.31 90 P2_1/c
atom      x     y     z occ Biso
CaM2  .2613 .0452  .246 .23   .8
MgM2  .2518 .0127 .2210 .77  .65
MgM1  .2504 .6538 .2283      .63
SiTA  .0415 .3416 .2782      .58
SiTB  .5484 .8391 .2348      .61
O1A   .8665 .3395 .1719      .50
O2A   .1183 .5021 .3220      .81
O3A*  .1052 .2735  .596 .85  .69
O3A**  .103  .244  .548 .15  .69
O1B   .3727 .8384 .1312      .78
O2B*  .6319 .9853  .384 .85  .75
O2B**  .614 1.002  .318 .15  .75
O3B*  .6022 .7042  .468 .85  .64
O3B**  .615  .771  .009 .15  .64
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Clinoenstatite
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Ohashi Y
 
Physics and Chemistry of Minerals 10 (1984) 217-229
Polysynthetically-twinned structures of enstatite and wollastonite
Sample: CLEN
_database_code_amcsd 0007357
9.606 8.8131 5.170 90 108.35 90 P2_1/c
atom      x      y      z Biso
MgM1 .25111 .65330  .2177  .41
MgM2 .25581 .01312  .2146  .55
SiA  .04331 .34088 .29449  .29
SiB  .55339 .83718 .23007  .30
O1A   .8667  .3396  .1851  .37
O2A   .1228  .5009  .3218  .46
O3A   .1066  .2795  .6153  .47
O1B   .3762  .8399  .1247  .39
O2B   .6340  .9825  .3891  .49
O3B   .6053  .6942  .4540  .43
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Clinoenstatite
Download hom/clinoenstatite.pdf
Morimoto N, Appleman D E, Evans H T
Download zk/vol114/ZK114_120.pdf
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
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 16
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