American Mineralogist Crystal Structure Database

438 matching records for this search.

Majorite
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Hazen R M, Downs R T, Finger L W, Conrad P G, Gasparik T
Download am/vol79/AM79_581.pdf
American Mineralogist 79 (1994) 581-584
Crystal chemistry of Ca-bearing majorite
Locality: synthetic
_database_code_amcsd 0001663
11.5816 11.5816 11.5288 90 90 90 *I4_1/a
.5 .25 .125
atom      x      y     z  occ Biso
MgD1  .1265  .0137 .2576 .917  .83
CaD1  .1265  .0137 .2576 .083  .83
MgD2      0    .25 .6258 .677 2.20
CaD2      0    .25 .6258 .323 2.20
MgO1      0      0    .5       .44
SiO2      0      0     0       .44
SiT1      0    .25  .375       .59
SiT2      0    .25  .875       .59
SiT3  .1259  .0072 .7575       .59
O1    .0251  .0524 .6666       .61
O2    .0420 -.0462 .8635       .61
O3    .2212  .1100 .7934       .61
O4    .2172 -.0839 .7026       .61
O5   -.0530  .1585 .4697       .61
O6   -.1024  .2141 .7842       .61
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Ringwoodite
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Hazen R M, Downs R T, Finger L W
Download am/vol78/AM78_1320.pdf
American Mineralogist 78 (1993) 1320-1323
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
disorder
Sample: SUNY 859
_database_code_amcsd 0001624
8.0709 8.0709 8.0709 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si    .125  .125  .125 .00199 .00199 .00199       0       0       0
Mg      .5    .5    .5 .00263 .00263 .00263 -.00016 -.00016 -.00016
O    .2441 .2441 .2441 .00197 .00197 .00197 -.00004 -.00004 -.00004
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Ringwoodite
Download hom/ringwoodite.pdf
Hazen R M, Downs R T, Finger L W
Download am/vol78/AM78_1320.pdf
American Mineralogist 78 (1993) 1320-1323
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
disorder
Sample: SUNY 1013
_database_code_amcsd 0001625
8.1763 8.1763 8.1763 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si    .125  .125  .125      .00144 .00144 .00144      0      0      0
Mg      .5    .5    .5 .383 .00192 .00192 .00192 .00004 .00004 .00004
Fe      .5    .5    .5 .617 .00192 .00192 .00192 .00004 .00004 .00004
O    .2420 .2420 .2420      .00212 .00212 .00212 .00001 .00001 .00001
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Ringwoodite
Download hom/ringwoodite.pdf
Hazen R M, Downs R T, Finger L W
Download am/vol78/AM78_1320.pdf
American Mineralogist 78 (1993) 1320-1323
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
disorder
Sample: SUNY 1097
_database_code_amcsd 0001626
8.2030 8.2030 8.2030 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si    .125  .125  .125     .00147 .00147 .00147       0       0       0
Mg      .5    .5    .5 .21 .00180 .00180 .00180  .00001  .00001  .00001
Fe      .5    .5    .5 .79 .00180 .00180 .00180  .00001  .00001  .00001
O    .2415 .2415 .2415     .00209 .00209 .00209 -.00007 -.00007 -.00007
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Ringwoodite
Download hom/ringwoodite.pdf
Hazen R M, Downs R T, Finger L W
Download am/vol78/AM78_1320.pdf
American Mineralogist 78 (1993) 1320-1323
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
disorder
Sample: SUNY 1102
_database_code_amcsd 0001627
8.2059 8.2059 8.2059 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si    .125  .125  .125      .00157 .00157 .00157      0      0      0
Mg      .5    .5    .5 .218 .00208 .00208 .00208 .00002 .00002 .00002
Fe      .5    .5    .5 .782 .00208 .00208 .00208 .00002 .00002 .00002
O    .2418 .2418 .2418      .00212 .00212 .00212 .00037 .00037 .00037
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = room pressure
_database_code_amcsd 0001629
4.9717 4.9717 6.9223 90 90 90 P4_12_12
atom      x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .30028 .30028     0  .0077  .0077 .00401 -.0003  .0008 -.0008
O     .2392  .1044 .1787  .0244  .0086  .0062 -.0013  .0027  .0005
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 0.19 GPa
_database_code_amcsd 0001630
4.9501 4.9501 6.8760 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3027 .3027     0  .80
O    .2388 .1086 .1817 1.22
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 0.73 GPa
_database_code_amcsd 0001631
4.9028 4.9028 6.7782 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3086 .3086     0  .63
O    .2364 .1198 .1870 1.07
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 1.05 GPa
_database_code_amcsd 0001632
4.8757 4.8757 6.7163 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3125 .3125     0  .51
O    .2356 .1269 .1904 1.12
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = 0, complete data set
Note: sample is from Crete
_database_code_amcsd 0001682
8.1372 12.787 7.1574 94.245 116.605 87.809 C-1
atom        x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Al    .008871 .168353 .208446 .003338 .001017 .003857 -.000249 .001828  .000082
Si1m  .003705 .820297 .237070 .003248 .000936 .003253  .000273 .001558  .000195
Si2o  .691614 .110197 .314831 .002986 .000819 .004423  .000003 .001521  .000180
Si2m  .681580 .881758 .360403 .002803 .000862 .004429  .000110 .001562  .000259
Na    .268233 .989297 .146106 .005908 .006434 .016852 -.000885 .004068 -.006040
O(A1) .005227 .131136 .967327 .007137 .001633 .004859 -.000025 .003387  .000532
O(A2) .591863 .997055 .280401 .003567 .001000 .005977 -.000079 .001449  .000442
O(B)o .812676 .109738 .190971 .005557 .001782 .008634 -.000638 .004309 -.000318
O(B)m .820129 .850983 .258483 .005818 .002325 .011244  .000916 .005770  .000292
O(C)o .012877 .301867 .270911 .004959 .001163 .007863 -.000305 .002748 -.000015
O(C)m .023369 .693554 .228850 .004581 .001082 .008161  .000433 .001824  .000354
O(D)o .206807 .109074 .388991 .005404 .001715 .004827  .000512 .001054  .000400
O(D)m .184026 .868037 .435997 .006104 .001866 .005118 -.000498 .000431 -.000159
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = 0, constrained data set
Note: sample is from Crete
_database_code_amcsd 0001683
8.1372 12.7870 7.1574 94.245 116.605 87.809 C-1
atom        x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na    .269134 .989040 .148935  3.0 .00661 .00644 .01801 -.00103 .00518 -.00592
Al1o  .008896 .168193 .207617  .64
Si1m  .003984 .820432 .236646  .63
Si2o  .692220 .110443 .315895  .59
Si2m  .681617 .881794 .360883  .61
O(A1) .006146 .131658 .968891 1.17
O(A2) .591577 .997059 .278960  .77
O(B)o .813702 .110113 .195038 1.05
O(B)m .818977 .850892 .256290 1.19
O(C)o .012388 .301848 .269006  .96
O(C)m .023273 .693405 .227539  .92
O(D)o .206430 .108942 .386309 1.19
O(D)m .180922 .868009 .428643 1.44
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = .44 GPa
Note: sample is from Crete
_database_code_amcsd 0001684
8.1104 12.7710 7.1482 94.244 116.667 87.835 C-1
atom        x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na    .265985 .989646 .141112  3.6 .00639 .00629 .03100 -.00146 .00792 -.00681
Al1o  .008580 .168118 .208646  .66
Si1m  .003234 .820428 .236432  .65
Si2o  .691465 .109935 .315916  .58
Si2m  .680954 .881794 .363229  .58
O(A1) .006703 .131482 .968873 1.10
O(A2) .589621 .997326 .279411  .72
O(B)o .811916 .109127 .191438  .99
O(B)m .818838 .851013 .256494 1.18
O(C)o .010657 .301451 .269789  .86
O(C)m .024408 .694022 .233163 1.02
O(D)o .203183 .108542 .377684 1.25
O(D)m .176776 .866816 .422810 1.42
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = 1.22 GPa
Note: sample is from Crete
_database_code_amcsd 0001685
8.0510 12.7336 7.1242 94.252 116.784 87.909 C-1
atom        x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na    .263883 .990707 .141914  4.2 .00916 .00576 .04824 -.00070 .01680 -.00482
Al1o  .007189 .167548 .206792  .57
Si1m  .001821 .820863 .236207  .54
Si2o  .690937 .109614 .316885  .52
Si2m  .676495 .881260 .360042  .56
O(A1) .005997 .131056 .970082  .93
O(A2) .584997 .996465 .276788  .48
O(B)o .810221 .106478 .188614 1.05
O(B)m .814714 .850320 .250473 1.24
O(C)o .008334 .300961 .272668  .86
O(C)m .021481 .694079 .228248  .88
O(D)o .210446 .108983 .391119 1.08
O(D)m .174357 .866692 .423200 1.39
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = 2.68 GPa
Note: sample is from Crete
_database_code_amcsd 0001686
7.9567 12.6784 7.0897 94.217 116.992 88.025 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na     .258665 .993009 .139165  3.8 .01037 .00479 .04300 -.00013 .01596 -.00440
Al1o   .005804 .166405 .206524  .60
Si1m  -.000254 .820598 .236094  .54
Si2o   .687345 .108455 .311366  .49
Si2m   .671640 .880229 .359855  .48
O(A1)  .007293 .129230 .967437  .90
O(A2)  .581026 .996411 .282414  .68
O(B)o  .807880 .101963 .183963  .99
O(B)m  .811602 .849250 .255032 1.27
O(C)o -.000742 .300211 .272186  .88
O(C)m  .019268 .693517 .223978  .78
O(D)o  .211417 .110305 .386304 1.32
O(D)m  .178189 .868105 .429146 1.59
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Albite
Download hom/albite.pdf
Downs R T, Hazen R M, Finger L W
Download am/vol79/AM79_1042.pdf
American Mineralogist 79 (1994) 1042-1052
The high-pressure crystal chemistry of low albite and the origin of the
pressure dependency of Al-Si ordering
P = 3.78 GPa
Note: sample is from Crete
_database_code_amcsd 0001687
7.8925 12.6400 7.0667 94.177 117.074 88.128 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na     .259554 .993991 .146231  2.4 .00585 .00467 .01862 -.00075 .00565 -.00564
Al1o   .004071 .165725 .205574  .62
Si1m  -.003004 .820357 .235064  .60
Si2o   .684489 .107146 .307435  .57
Si2m   .665743 .879248 .355477  .53
O(A1)  .009339 .127420 .968440  .85
O(A2)  .577834 .996000 .280509  .46
O(B)o  .807883 .099549 .185352 1.04
O(B)m  .805414 .848356 .250659 1.31
O(C)o -.006564 .299215 .270386  .85
O(C)m  .016696 .693325 .222220  .87
O(D)o  .212359 .111803 .387660 1.08
O(D)m  .177043 .869401 .434067 1.34
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Pb(Al,Si)4O8
 
Downs R T, Hazen R M, Finger L W
Download am/vol80/AM80_937.pdf
American Mineralogist 80 (1995) 937-940
Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure
synthetic phase with octahedral Si
_database_code_amcsd 0001757
9.414 9.414 2.75 90 90 90 I4
atom      x     y     z  occ Biso
Pb1   .0435     0 .4146 .466  1.5
Pb2       0     0 .7179 .334  1.5
Si    .3510 .1638     0   .6  .61
Al    .3510 .1638     0   .4  .61
O1    .1546 .2016     0        .4
O2    .5418 .1641     0        .4
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #0, P = 0.0 GPa
_database_code_amcsd 0001777
4.8168 10.4317 5.9650 90 90 90 Pbnm
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Si   .431128 .091110     .25 .004852 .000976 .002874 -.000075       0        0
Li         0       0       0 .013797 .004417 .007966 -.000998 .000629 -.001532
Sc   .992305 .274328     .25 .005292 .000912 .002660  .000070       0        0
O1   .763143 .101286     .25 .006870 .001418 .004258 -.000431       0        0
O2   .195412 .447740     .25 .005916 .001311 .005503  .000020       0        0
O3   .282129 .168450 .040062 .008008 .001507 .003193  .000040 .000551  .000487
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #1, P = 0.06 GPa
_database_code_amcsd 0001778
4.8189 10.4373 5.9695 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4315516 .0910095      .25  .44
Li          0        0        0  1.6
Sc   .9926115 .2743784      .25  .38
O1   .7646101 .1009603      .25  .57
O2   .1965941 .4478585      .25  .57
O3   .2845206 .1678772 .0399179  .48
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 0.21 GPa
_database_code_amcsd 0001779
4.8198 10.4378 5.9699 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4316791 .0911674      .25  .38
Li          0        0        0  1.6
Sc   .9922526 .2742862      .25  .42
O1   .7655473 .1006997      .25  .51
O2   .1990408 .4470757      .25  .64
O3   .2844428 .1680092 .0399152  .54
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 0.23 GPa
_database_code_amcsd 0001780
4.8190 10.4333 5.9672 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4321413 .0909888      .25  .48
Li          0        0        0  1.3
Sc   .9917196 .2745792      .25  .37
O1   .7628070 .1001960      .25  .62
O2   .2002338 .4477317      .25  .48
O3   .2826551 .1683509 .0392019  .44
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 0.99 GPa
_database_code_amcsd 0001781
4.8040 10.4117 5.9533 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4314391 .0902022      .25  .47
Li          0        0        0  1.6
Sc   .9908078 .2741909      .25  .42
O1   .7637825 .0991790      .25  .68
O2   .1974812 .4470900      .25  .58
O3   .2821274 .1683816 .0393386  .67
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #1, P = 1.46 GPa
_database_code_amcsd 0001782
4.7996 10.3925 5.9443 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4301067 .0902736      .25  .38
Li          0        0        0  2.0
Sc   .9914462 .2741655      .25  .31
O1   .7628687 .0996600      .25  .64
O2   .1986488 .4465256      .25  .34
O3   .2821949 .1673254 .0398317  .38
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 2.17 GPa
_database_code_amcsd 0001783
4.7918 10.3784 5.9365 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4307365 .0903482      .25  .46
Li          0        0        0  1.3
Sc   .9906455 .2739263      .25  .38
O1   .7619395 .0995701      .25  .54
O2   .2019074 .4462019      .25  .47
O3   .2804476 .1673280 .0384211  .53
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 3.02 GPa
_database_code_amcsd 0001784
4.7802 10.3514 5.9224 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4295265 .0895102      .25  .38
Li          0        0        0  1.2
Sc   .9897961 .2739084      .25  .32
O1   .7585185 .0985864      .25  .43
O2   .2014213 .4459190      .25  .41
O3   .2763462 .1672952 .0390355  .37
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 3.72 GPa
_database_code_amcsd 0001785
4.7717 10.3320 5.9128 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4293633 .0892922      .25  .46
Li          0        0        0  1.2
Sc   .9893761 .2739497      .25  .37
O1   .7633687 .0986614      .25  .57
O2   .2065014 .4444102      .25  .51
O3   .2789554 .1663961 .0388826  .50
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 4.51 GPa
_database_code_amcsd 0001786
4.7611 10.3072 5.9006 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4280926 .0885396      .25  .39
Li          0        0        0  1.1
Sc   .9875963 .2736048      .25  .35
O1   .7620447 .0977352      .25  .55
O2   .2060464 .4450398      .25  .74
O3   .2758902 .1670388 .0382092  .47
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LiScSiO4
 
Hazen R M, Downs R T, Finger L W
Download am/vol81/AM81_327.pdf
American Mineralogist 81 (1996) 327-334
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
compression
Sample: #2, P = 5.15 GPa
_database_code_amcsd 0001787
4.7535 10.2864 5.8895 90 90 90 Pbnm
atom        x        y        z Biso
Si   .4266061 .0882744      .25  .36
Li          0        0        0  1.2
Sc   .9867975 .2735075      .25  .32
O1   .7587351 .0968072      .25  .49
O2   .2073437 .4444884      .25  .57
O3   .2747774 .1666546 .0382006  .46
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 0.0 GPa, in air
_database_code_amcsd 0001892
7.1200 7.8479 5.5738 89.974 101.117 106.000 P-1
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Al1  .32533 .70412 .45812 .00143 .00142 .00204 .00038 .00040  .00038
Al2  .29740 .69882 .95040 .00169 .00099 .00210 .00038 .00049  .00000
Al3  .09980 .38615 .64043 .00157 .00080 .00270 .00033 .00051  .00032
Al4  .11205 .91750 .16469 .00168 .00095 .00276 .00054 .00056  .00028
Si1  .29625 .06488 .70657 .00114 .00081 .00219 .00028 .00049  .00001
Si2  .29102 .33168 .18937 .00122 .00084 .00196 .00032 .00027  .00005
O1   .10933 .14685 .12866 .00227 .00120 .00378 .00039 .00028 -.00010
O2   .12287 .68535 .18113 .00178 .00096 .00299 .00040 .00063  .00021
O3   .27507 .45443 .95474 .00225 .00129 .00301 .00051 .00031  .00019
O4   .28353 .93570 .93567 .00215 .00122 .00318 .00066 .00099  .00033
O5   .10836 .15210 .66671 .00162 .00146 .00343 .00052 .00087  .00032
O6   .12192 .63063 .63939 .00176 .00134 .00245 .00054 .00047  .00002
O7   .28226 .44512 .42868 .00219 .00147 .00290 .00063 .00094 -.00021
O8   .29156 .94684 .46574 .00234 .00140 .00288 .00077 .00049 -.00010
O9   .50074 .27519 .24405 .00177 .00192 .00281 .00078 .00062  .00015
O10  .50154 .23099 .75595 .00166 .00165 .00261 .00078 .00051  .00014
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 1.35 GPa
_database_code_amcsd 0001893
7.1038 7.8305 5.5605 90.023 101.112 106.001 P-1
atom     x     y     z Biso
Al1  .3249 .7041 .4581  .43
Al2  .2972 .6989 .9499  .35
Al3  .0996 .3861 .6405  .37
Al4  .1114 .9171 .1639  .37
Si1  .2964 .0647 .7067  .38
Si2  .2922 .3324 .1911  .35
O1   .1092 .1480 .1296  .37
O2   .1215 .6844 .1786  .46
O3   .2748 .4546 .9550  .42
O4   .2837 .9361 .9367  .44
O5   .1080 .1516 .6670  .46
O6   .1213 .6310 .6403  .45
O7   .2821 .4455 .4297  .45
O8   .2915 .9476 .4657  .44
O9   .5005 .2743 .2445  .57
O10  .5015 .2320 .7555  .57
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 2.54 GPa
_database_code_amcsd 0001894
7.0896 7.8173 5.5497 90.031 101.098 105.987 P-1
atom     x     y     z Biso
Al1  .3245 .7038 .4572  .42
Al2  .2973 .6990 .9507  .38
Al3  .0997 .3862 .6408  .40
Al4  .1116 .9170 .1642  .42
Si1  .2964 .0646 .7057  .36
Si2  .2918 .3322 .1906  .39
O1   .1096 .1477 .1308  .52
O2   .1223 .6838 .1786  .41
O3   .2762 .4552 .9556  .39
O4   .2838 .9368 .9372  .52
O5   .1082 .1518 .6679  .43
O6   .1216 .6312 .6400  .54
O7   .2817 .4452 .4291  .59
O8   .2923 .9480 .4659  .45
O9   .5005 .2731 .2440  .62
O10  .5013 .2315 .7553  .58
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 3.73 GPa
_database_code_amcsd 0001895
7.0750 7.8027 5.5367 90.063 101.091 105.985 P-1
atom     x     y     z Biso
Al1  .3241 .7034 .4560  .41
Al2  .2985 .6994 .9524  .36
Al3  .1001 .3866 .6413  .34
Al4  .1124 .9176 .1652  .36
Si1  .2959 .0650 .7054  .33
Si2  .2919 .3321 .1910  .38
O1   .1085 .1478 .1299  .53
O2   .1213 .6837 .1780  .50
O3   .2763 .4551 .9547  .43
O4   .2838 .9366 .9376  .35
O5   .1083 .1522 .6671  .50
O6   .1203 .6310 .6400  .34
O7   .2822 .4456 .4292  .48
O8   .2925 .9479 .4657  .43
O9   .5011 .2730 .2439  .48
O10  .5012 .2327 .7555  .47
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 4.56 GPa
_database_code_amcsd 0001896
7.0648 7.7926 5.5299 90.089 101.085 105.982 P-1
atom     x     y     z Biso
Al1  .3243 .7035 .4565  .39
Al2  .2976 .6988 .9503  .38
Al3  .0998 .3861 .6403  .37
Al4  .1123 .9178 .1649  .33
Si1  .2963 .0651 .7056  .34
Si2  .2925 .3326 .1915  .36
O1   .1089 .1477 .1322  .44
O2   .1209 .6825 .1780  .39
O3   .2764 .4546 .9538  .40
O4   .2844 .9355 .9380  .43
O5   .1090 .1524 .6697  .40
O6   .1209 .6309 .6401  .27
O7   .2839 .4463 .4299  .53
O8   .2924 .9476 .4651  .47
O9   .5018 .2729 .2438  .43
O10  .5013 .2339 .7559  .62
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 0,  in air
_database_code_amcsd 0002214
7.83860  12.37330   6.80740  93.31900 116.36800  92.04000 C-1
atom        x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Na    .258203 .007570 .133024 .004994 .003238 .011032  .000343 .002353 -.002277
B     .012136 .161728 .221577 .002665 .000759 .003908 -.000107 .001309  .000030
Si1m  .005847 .809643 .209724 .002503 .000718 .003272  .000274 .001197  .000165
Si2o  .702788 .101809 .320489 .002367 .000596 .004091 -.000003 .001143  .000029
Si2m  .684884 .864530 .354472 .002402 .000641 .003731  .000178 .001195  .000179
O(A1) .007803 .136518 .004126 .005242 .001130 .004550  .000207 .002321  .000199
O(A2) .593308 .981231 .275837 .002781 .000655 .006050  .000091 .001100  .000366
O(B)o .844947 .098941 .211170 .004927 .001207 .008694 -.000732 .004315 -.000545
O(B)m .816291 .834850 .233509 .004319 .001681 .008045  .000557 .003641  .000347
O(C)o .006614 .276454 .273598 .003832 .000859 .007981 -.000161 .003015 -.000191
O(C)m .028745 .679571 .206233 .003962 .000918 .006327  .000628 .001157  .000208
O(D)o .190273 .118399 .382777 .004384 .001668 .004108  .000990 .001039  .000160
O(D)m .192181 .867803 .417224 .004238 .001476 .004537 -.000219 .000711 -.000116
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 0.00 GPa, in cell
_database_code_amcsd 0002215
7.8389 12.3715 6.8065 93.311 116.363 92.043 C-1
atom       x      y      z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)   B(2,3)
Na    .25866 .00757 .13442      .005139 .003374 .006909 .000735 .001631 -.000999
B     .01340 .16114 .22209  .53
Si1m  .00624 .80987 .20976  .53
Si2o  .70291 .10201 .32052  .50
Si2m  .68571 .86460 .35660  .49
O(A1) .00705 .13697 .00166  .84
O(A2) .59274 .98109 .27505  .60
O(B)o .84479 .09912 .21180  .85
O(B)m .81586 .83462 .23184  .96
O(C)o .00621 .27687 .27265  .64
O(C)m .02949 .67977 .20669  .76
O(D)o .19037 .11875 .38274  .98
O(D)m .19072 .86760 .41510 1.03
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 0.88 GPa
_database_code_amcsd 0002216
7.7852 12.3419 6.7917 93.332 116.347 92.094 C-1
atom        x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)   B(2,3)
Na    .257191 .008039 .131522      .00608 .00308 .01286 .00066 .00407 -.001590
B     .013665 .160563 .222208  .65
Si1m  .005359 .809869 .208540  .60
Si2o  .702294 .101146 .321555  .55
Si2m  .682768 .863989 .355133  .49
O(A1) .006014 .136224 .000632  .87
O(A2) .589366 .980622 .275580  .65
O(B)o .845638 .095986 .213191  .81
O(B)m .814823 .835100 .233778 1.01
O(C)o .003261 .275582 .272082  .68
O(C)m .028764 .679701 .204011  .85
O(D)o .192525 .119462 .382786 1.06
O(D)m .190407 .867657 .412472 1.12
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 1.89 GPa
_database_code_amcsd 0002217
7.7231 12.3038 6.7719 93.364 116.316 92.145 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na     .256007 .008238 .130880      .00621 .00294 .01495 .00048 .00478 -.00211
B      .011833 .159645 .218587   .6
Si1m   .005236 .809963 .208893  .56
Si2o   .701038 .100160 .321127  .52
Si2m   .679848 .863324 .354838  .49
O(A1)  .007518 .135041 .002780  .79
O(A2)  .583343 .979410 .269840  .51
O(B)o  .845831 .092623 .211736  .77
O(B)m  .811704 .834473 .230657  .92
O(C)o -.000956 .274104 .271487  .73
O(C)m  .027516 .679251 .200578  .81
O(D)o  .195249 .120202 .383200  .97
O(D)m  .192656 .868610 .414724 1.14
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 3.00 GPa
_database_code_amcsd 0002218
7.6589 12.2675 6.7512 93.374 116.256 92.222 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na     .254374 .008769 .128849      .00658 .00283 .01729 .00096 .00589 -.00121
B      .012769 .158859 .222044  .58
Si1m   .005232 .810082 .208523  .56
Si2o   .699215 .099025 .319224  .53
Si2m   .676047 .862364 .353928  .54
O(A1)  .008001 .134997 .004191  .87
O(A2)  .581581 .979951 .274584  .51
O(B)o  .848203 .089755 .216070  .78
O(B)m  .810335 .833451 .229191  .95
O(C)o -.005648 .272837 .270184  .65
O(C)m  .026831 .679024 .200100  .91
O(D)o  .198086 .121144 .383188 1.02
O(D)m  .195121 .868926 .417785 1.12
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 3.64 GPa
_database_code_amcsd 0002219
7.6194 12.2465 6.7389 93.392 116.222 92.263 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na     .254129 .008965 .129957      .00674 .00298 .01595 .00087 .00514 -.00133
B      .011828 .158118 .220194  .56
Si1m   .004593 .810089 .207102  .61
Si2o   .699207 .098570 .320676  .61
Si2m   .673758 .861752 .352903  .61
O(A1)  .005326 .133968 .999846  .83
O(A2)  .578476 .978808 .271898  .71
O(B)o  .848591 .087720 .217107  .87
O(B)m  .811086 .833418 .233406  .92
O(C)o -.007471 .272235 .272288  .70
O(C)m  .026856 .678775 .198746  .97
O(D)o  .200226 .121600 .383605 1.05
O(D)m  .194992 .869007 .414806 1.09
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Reedmergnerite
Download hom/reedmergnerite.pdf
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
Download am/vol84/AM84_333.pdf
American Mineralogist 84 (1999) 333-340
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
P = 4.68 GPa
_database_code_amcsd 0002220
7.5790 12.2200 6.7141 93.373 116.303 92.345 C-1
atom         x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na     .253368 .009631 .127961      .00592 .00253 .01468 .00009 .00458 -.00257
B      .012855 .156589 .219688 .549
Si1m   .005519 .809759 .209219 .565
Si2o   .698555 .097933 .319925 .505
Si2m   .671488 .861053 .351654 .523
O(A1)  .006347 .133283 .003218 .830
O(A2)  .574766 .978268 .268754 .618
O(B)o  .848393 .085455 .216430 .783
O(B)m  .809339 .832534 .229547 .909
O(C)o -.011615 .271404 .269653 .695
O(C)m  .026480 .678608 .193596 .798
O(D)o  .201787 .122264 .382683 .921
O(D)m  .194511 .869071 .413515 1.04
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 0 GPa
_database_code_amcsd 0002791
12.5731 12.5731 12.5731 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0021 .00151 .00151      0      0  .0000
Al       0     0     0     .00138 .00138 .00138 -.0000 -.0000 -.0000
SiT   .375     0   .25   0
OH   .0285 .0522 .6402      .0026  .0020  .0016 -.0001  .0001 -.0002
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 2.15 GPa
_database_code_amcsd 0002792
12.4286 12.4286 12.4286 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0021 .00125 .00125      0      0  .0001
Al       0     0     0     .00133 .00133 .00133  .0001  .0001  .0001
SiT   .375     0   .25   0
OH   .0289 .0530 .6410      .0023  .0022  .0013 -.0004 -.0001 -.0002
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 4.21 GPa
_database_code_amcsd 0002793
12.3094 12.3094 12.3094 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0027 .00148 .00148      0      0  .0002
Al       0     0     0     .00144 .00144 .00144  .0000  .0000  .0000
SiT   .375     0   .25   0
OH   .0299 .0529 .6414      .0025  .0019  .0016 -.0003 -.0002 -.0003
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 5.09 GPa
_database_code_amcsd 0002794
12.2595 12.2595 12.2595 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0034 .00163 .00163      0      0 -.0001
Al       0     0     0     .00172 .00172 .00172  .0001  .0001  .0001
SiT   .375     0   .25   0
OH   .0306 .0528 .6421      .0028  .0023  .0020 -.0003 -.0005 -.0003
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 6.00 GPa
_database_code_amcsd 0002795
12.2145 12.2145 12.2145 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0040  .0015  .0015      0      0 -.0004
Al       0     0     0      .0019  .0019  .0019  .0002  .0002  .0002
SiT   .375     0   .25   0
OH   .0310 .0527 .6423      .0026  .0022  .0019 -.0005  .0002 -.0004
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 6.00 GPa
_database_code_amcsd 0002796
12.2145 12.2145 12.2145 90 90 90 I-43d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .1342     0   .25      .0022  .0012  .0019      0      0 -.0000
Al   .0024 .0024 .0024     .00163 .00163 .00163 -.0000 -.0000 -.0000
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0339 .0510 .6381      .0012  .0029  .0018 -.0005  .0005  .0001
OH2  .1465 .9717 .0536      .0018  .0044  .0016  .0003 -.0006  .0001
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 7.09 GPa
_database_code_amcsd 0002797
12.1623 12.1623 12.1623 90 90 90 I-43d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .1354     0   .25      .0022  .0015  .0016      0      0  .0004
Al   .0039 .0039 .0039     .00118 .00118 .00118 -.0003 -.0003 -.0003
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0340 .0533 .6386      .0023  .0013  .0013 -.0001 -.0008  .0004
OH2  .1468 .9719 .0518      .0014  .0029  .0030 -.0009 -.0004 -.0003
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Katoite
Download hom/katoite.pdf
Lager G A, Downs R T, Origlieri M J, Garoutte R
Download am/vol87/AM87_642.pdf
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 7.78 GPa
_database_code_amcsd 0002798
12.1267 12.1267 12.1267 90 90 90 I-43d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .1370     0   .25      .0016  .0014  .0015      0      0  .0004
Al   .0032 .0032 .0032     .00127 .00127 .00127 -.0001 -.0001 -.0001
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0356 .0528 .6388      .0021  .0016  .0014 -.0007  .0002  .0002
OH2  .1476 .9732 .0538      .0017  .0027  .0019  .0001 -.0008 -.0002
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #1 based on HCP stacking sequence ABAB. Has the bonding topology of
observed HT-C2/c pyroxenes.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002996
7.3936910 6 3.4641016 90 117.9383 90 C2/c
atom  x     y     z
Mg1   0 11/12   1/4
Mg2   0   .25   1/4
Si 5/16  1/12 19/48
O1  1/8  1/12  5/24
O2  3/8   .25  7/24
O3  3/8 11/12  7/24
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #2 based on stacking sequence ABAC. Ideal analogue of  protopyroxene,
high-P protopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002997
6.5319726 6 3.4641016 90 90 90 *P2_1cn
0 .25 0
atom    x     y   z
Mg1     0  1/12 2/3
Mg2     0   .25 1/6
SiA 11/16 11/12 5/6
SiB  5/16  1/12   0
O1A   7/8 11/12 5/6
O1B   1/8  1/12   0
O2A   5/8   3/4   0
O2B   3/8   .25 1/6
O3A   5/8 11/12 1/2
O3B   3/8 11/12 1/6
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3a based on stacking sequence ABABCACABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002998
6.6332495 6 3.4641016 90 100.0250 90 P2/c
atom    x     y     z
SiA 11/16  7/12  5/16
SiB 13/16 11/12  1/48
Mg1a    0  7/12   3/4
Mg2a    0   .25   3/4
Mg1b  1/2  1/12   3/4
Mg2b  1/2   3/4   3/4
O1A   7/8  7/12   3/8
O2A   5/8   3/4 11/24
O3A   5/8  5/12 11/24
O1B   5/8  1/12 11/24
O2B   7/8   .25   3/8
O3B   7/8 11/12   3/8
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3b based on stacking sequence ABABCACABCBC. Ideal analogue of low
clinopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002999
6.9282032 6 3.4641016 90 109.4712 90 P2_1/c
atom   x   y    z
SiA 1/16 1/3  3/8
SiB 9/16 5/6 5/24
Mg1  .25 2/3  1/6
Mg2  .25   0  1/6
O1A  7/8 1/3  1/4
O1B  3/8 5/6 1/12
O2A  1/8 1/2  1/4
O2B  5/8   0 5/12
O3A  1/8 1/3  3/4
O3B  5/8 2/3 5/12
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #4 based on CCP stacking sequence ABCABCABCABC. Ideal analogue of HP-C2/c
pyroxene and eight-coordinaSiEd Mg2-C2/c pyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003000
6.6332495 6.0 3.4641016 90 100.0250 90 C2/c
atom  x     y    z
Si 5/16  1/12 3/16
Mg1   0 11/12  1/4
Mg2   0   .25  1/4
O1  1/8  1/12  1/8
O2  3/8   .25  3/8
O3  3/8  1/12  7/8
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #5 based on stacking sequence ABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003001
13.063945 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA  31/32 11/12 1/6
SiB  29/32  5/12   0
Mg1a 13/16  1/12 1/3
Mg2a 13/16   3/4 1/3
SiC  23/32  7/12 5/6
SiD  21/32 11/12 1/2
Mg1b  9/16  7/12 1/6
Mg2b  9/16   .25 1/6
SiE  13/32  7/12 1/2
SiF  15/32  1/12 1/3
Mg1c  5/16  1/12 2/3
Mg2c  5/16   3/4 2/3
SiG   5/32  1/12   0
SiH   7/32  5/12 1/3
Mg1d  1/16  5/12 2/3
Mg2d  1/16   .25 1/6
O1A    7/8 11/12 1/6
O2A      0   3/4   0
O3A      0  1/12   0
O1B      0  5/12   0
O2B    7/8  7/12 1/6
O3B    7/8   3/4 2/3
O1C    5/8  5/12 1/3
O2C    3/4   3/4   0
O3C    3/4  5/12   0
O1D    3/4  1/12   0
O2D    5/8   3/4 1/3
O3D    5/8  1/12 1/3
O1E    1/2  5/12   0
O2E    3/8   3/4 1/3
O3E    3/8  5/12 1/3
O1F    3/8  1/12 1/3
O2F    1/2   3/4   0
O3F    1/2  1/12   0
O1G    .25  1/12   0
O2G    1/8   3/4 1/3
O3G    1/8  1/12 1/3
O1H    1/8  5/12 1/3
O2H    .25   .25 1/2
O3H    .25  5/12   0
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #6 based on stacking sequence ABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003002
13.063945 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA  31/32 11/12 1/6
SiB  29/32  5/12   0
Mg1a 13/16  1/12   0
Mg2a 13/16   3/4   0
SiC  23/32  5/12 2/3
SiD  21/32  1/12 1/3
Mg1b  9/16  5/12 1/3
Mg2b  9/16   3/4 1/3
SiE  13/32  7/12 1/2
SiF  15/32  1/12 1/3
Mg1c  5/16  1/12 2/3
Mg2c  5/16   3/4 2/3
SiG   5/32  1/12   0
SiH   7/32  5/12 1/3
Mg1d  1/16  5/12 2/3
Mg2d  1/16   .25 1/6
O1A    7/8 11/12 1/6
O2A      0   3/4   0
O3A      0  1/12   0
O1B      0  5/12   0
O2B    7/8  7/12 1/6
O3B    7/8   3/4 2/3
O1C    5/8  5/12 2/3
O2C    3/4   .25 5/6
O3C    3/4  5/12 1/3
O1D    3/4  1/12 1/3
O2D    5/8   .25 1/6
O3D    5/8 11/12 1/6
O1E    1/2  5/12   0
O2E    3/8   3/4 1/3
O3E    3/8  5/12 1/3
O1F    3/8  1/12 1/3
O2F    1/2   3/4   0
O3F    1/2  1/12   0
O1G    .25  1/12   0
O2G    1/8   3/4 1/3
O3G    1/8  1/12 1/3
O1H    1/8  5/12 1/3
O2H    .25   .25 1/2
O3H    .25  5/12   0
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #7 based on stacking sequence ABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003003
13.063945 6 3.4641016 90 90 90 P2_1ca
atom    x     y     z
SiA 31/32 11/12 11/12
SiB 29/32  5/12   3/4
Mg1a 5/16  1/12  5/12
Mg2a 5/16   3/4  5/12
SiC  5/32  1/12   3/4
SiD  7/32  5/12  1/12
Mg1b 1/16  5/12  5/12
Mg2b 1/16   .25 11/12
O1A   7/8 11/12 11/12
O2A     0   3/4   3/4
O3A     0  1/12   3/4
O1B     0  5/12   3/4
O2B   7/8  7/12 11/12
O3B   7/8   3/4  5/12
O1C   .25  1/12   3/4
O2C   1/8   3/4  1/12
O3C   1/8  1/12  1/12
O1D   1/8  5/12  1/12
O2D   .25   .25   1/4
O3D   .25  5/12   3/4
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8a based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003004
13.063945 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA 29/32 11/12  1/12
SiB 27/32  5/12 11/12
SiC 13/32 11/12   3/4
SiD 11/32  7/12  1/12
Mg1a    0  5/12   1/4
Mg2a    0   .25   3/4
Mg1b  .25 11/12  1/12
Mg2b  .25   .25  1/12
Mg1c  1/2  7/12   3/4
Mg2c  1/2   .25   3/4
O1A 13/16 11/12  1/12
O2A 15/16   3/4 11/12
O3A 15/16  1/12 11/12
O1B 15/16  5/12 11/12
O2B 13/16   .25  1/12
O3B 13/16  7/12  1/12
O1C  5/16 11/12   3/4
O2C  7/16   3/4  7/12
O3C  7/16 11/12  1/12
O1D  7/16  7/12  1/12
O2D  5/16   3/4   1/4
O3D  5/16  7/12   3/4
Download AMC data (View Text File)
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8b based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003005
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA 31/32 1/6 1/3
Mg1a  7/8 2/3 1/2
Mg2a  7/8   0 1/2
SiB  9/32 1/3 1/6
SiC  7/32 2/3 1/2
SiD 15/32 1/3 1/6
Mg1b  3/8 2/3 1/6
Mg2b  3/8   0 1/6
O1A  1/16 1/6 1/3
O2A 15/16   0 1/6
O3A 15/16 1/3 1/6
O1B  3/16 1/3 1/6
O2B  5/16 1/2   0
O3B  5/16 1/3 1/2
O1C  5/16 2/3 1/2
O2C  3/16 1/2 2/3
O3C  3/16 2/3 1/6
O1D  9/16 1/3 1/6
O2D  7/16 1/2 1/3
O3D  7/16 1/6 1/3
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9a based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003006
13.063948 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA 29/32 11/12  1/12
SiB 27/32  5/12 11/12
SiC 13/32 11/12   3/4
SiD 11/32  7/12  5/12
Mg1a    0  5/12   1/4
Mg2a    0   .25   3/4
Mg1b  .25 11/12  1/12
Mg2b  .25   .25  1/12
Mg1c  1/2  7/12   3/4
Mg2c  1/2   .25   3/4
O1A 13/16 11/12  1/12
O2A 15/16   3/4 11/12
O3A 15/16  1/12 11/12
O1B 15/16  5/12 11/12
O2B 13/16   .25  1/12
O3B 13/16  7/12  1/12
O1C  5/16 11/12   3/4
O2C  7/16   3/4 11/12
O3C  7/16  1/12 11/12
O1D  7/16  7/12  5/12
O2D  5/16   3/4   1/4
O3D  5/16  7/12   3/4
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9b based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003007
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA 31/32 1/6 1/3
Mg1a  7/8 2/3 1/2
Mg2a  7/8   0 1/2
SiB  9/32 1/3 1/6
SiC  7/32 2/3 1/2
SiD 15/32 1/6 1/3
Mg1b  3/8 2/3 5/6
Mg2b  3/8   0 5/6
O1A  1/16 1/6 1/3
O2A 15/16   0 1/6
O3A 15/16 1/3 1/6
O1B  3/16 1/3 1/6
O2B  5/16 1/2   0
O3B  5/16 1/3 1/2
O1C  5/16 2/3 1/2
O2C  3/16 1/2 2/3
O3C  3/16 2/3 1/6
O1D  9/16 1/6 1/3
O2D  7/16   0 1/6
O3D  7/16 1/3 1/6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #10 based on stacking sequence ABACBABC. Ideal analogue to orthopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003008
13.063945 6 3.4641016 90 90 90 *P2_1ca
0 .25 0
atom    x   y    z
SiA  9/32 1/6 7/12
SiB  7/32 2/3 5/12
Mg1a  1/8 1/3 5/12
Mg2a  1/8   0 5/12
SiC 15/32 1/6  1/4
SiD 17/32 5/6 7/12
Mg1b  7/8 2/3  3/4
Mg2b  7/8 1/2  1/4
O1A  3/16 1/6 7/12
O2A  5/16   0 5/12
O3A  5/16 1/3 5/12
O1B  5/16 2/3 5/12
O2B  3/16 1/2 7/12
O3B  3/16 5/6 7/12
O1C  9/16 1/6  1/4
O2C  7/16   0 1/12
O3C  7/16 1/6 7/12
O1D  7/16 5/6 7/12
O2D  9/16   0  3/4
O3D  9/16 5/6  1/4
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11a based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003009
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  5/12
SiB  5/48 1/12  7/12
SiC 11/48 1/12 11/12
SiD 13/48 5/12  7/12
SiE 19/48 5/12  7/12
SiF  7/16 1/12   1/4
Mg1a    0 1/12   1/4
Mg2a    0  .25   3/4
Mg1b  1/6 5/12   1/4
Mg2b  1/6  .25   3/4
Mg1c  1/3 1/12  7/12
Mg2c  1/3  .25  1/12
Mg1d  1/2 5/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 7/12  5/12
O2A  1/24  3/4  7/12
O3A  1/24 5/12  7/12
O1B  1/24 1/12  7/12
O2B   1/8  .25  5/12
O3B   1/8 1/12 11/12
O1C  7/24 1/12 11/12
O2C  5/24  .25  1/12
O3C  5/24 1/12  7/12
O1D  5/24 5/12  7/12
O2D  7/24  .25  5/12
O3D  7/24 7/12  5/12
O1E 11/24 5/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 7/12   3/4
O1F   3/8 1/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 1/12  7/12
Download AMC data (View Text File)
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11b based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003010
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2   0
Mg1b  .25 1/3 1/2
Mg2b  .25 1/2   0
Mg1c 5/12 5/6 2/3
Mg2c 5/12 1/2 2/3
SiA  7/48 1/6 1/3
SiB  3/16 5/6 2/3
SiC  5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 2/3
SiF  1/48 1/6 2/3
O1A  5/24 1/6 1/3
O2A   1/8   0 1/6
O3A   1/8 1/6 2/3
O1B   1/8 5/6 2/3
O2B  5/24   0 5/6
O3B  5/24 5/6 1/3
O1C   3/8 2/3 1/2
O2C  7/24 1/2 2/3
O3C  7/24 5/6 2/3
O1D  7/24 1/3 1/6
O2D   3/8 1/2   0
O3D   3/8 1/6   0
O1E 13/24 1/6 2/3
O2E 11/24   0 5/6
O3E 11/24 1/6 1/3
O1F 23/24 1/6 2/3
O2F  1/24   0 5/6
O3F  1/24 1/6 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12a based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003011
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA  1/16  7/12  5/12
SiB  5/48  1/12  7/12
SiC 11/48  1/12 11/12
SiD 13/48  5/12  7/12
SiE 19/48  7/12  5/12
SiF  7/16  1/12   1/4
Mg1a    0  1/12   1/4
Mg2a    0   .25   3/4
Mg1b  1/6  5/12   1/4
Mg2b  1/6   .25   3/4
Mg1c  1/3  1/12  7/12
Mg2c  1/3   .25  1/12
Mg1d  1/2  5/12   1/4
Mg2d  1/2   .25   3/4
O1A   1/8  7/12  5/12
O2A  1/24   3/4  7/12
O3A  1/24  5/12  7/12
O1B  1/24  1/12  7/12
O2B   1/8   .25  5/12
O3B   1/8  1/12 11/12
O1C  7/24  1/12 11/12
O2C  5/24   .25  1/12
O3C  5/24  1/12  7/12
O1D  5/24  5/12  7/12
O2D  7/24   .25  5/12
O3D  7/24  7/12  5/12
O1E 11/24  7/12  5/12
O2E   3/8   .25   3/4
O3E   3/8  7/12   3/4
O1F   3/8  1/12   1/4
O2F 11/24   .25  5/12
O3F 11/24 11/12  5/12
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12b based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003012
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2   0
Mg1b  .25 1/3 1/2
Mg2b  .25 1/2   0
Mg1c 5/12 2/3 5/6
Mg2c 5/12 1/2 1/3
SiA  7/48 1/6 1/3
SiB  3/16 5/6 2/3
SiC  5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 1/3
SiF  1/48 1/6 2/3
O1A  5/24 1/6 1/3
O2A   1/8   0 1/6
O3A   1/8 1/6 2/3
O1B   1/8 5/6 2/3
O2B  5/24   0 5/6
O3B  5/24 5/6 1/3
O1C   3/8 2/3 1/2
O2C  7/24 1/2 2/3
O3C  7/24 5/6 2/3
O1D  7/24 1/3 1/6
O2D   3/8 1/2   0
O3D   3/8 1/6   0
O1E 13/24 1/6 1/3
O2E 11/24   0 1/6
O3E 11/24 1/6 2/3
O1F 23/24 1/6 2/3
O2F  1/24   0 5/6
O3F  1/24 1/6 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #13 based on stacking sequence ABABABACACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003013
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3 1/3
SiB   1/16 1/3   0
SiC   3/16 1/6 5/6
SiD  11/48 2/3   0
SiE  17/48 2/3 1/3
SiF  19/48 1/3   0
Mg1a   1/8 2/3 2/3
Mg2a   1/8   0 2/3
Mg1b  7/24 1/3 2/3
Mg2b  7/24   0 2/3
Mg1c 11/24 2/3 2/3
Mg2c 11/24   0 2/3
O1A   1/12 2/3 1/3
O2A      0 1/2 1/2
O3A      0 5/6 1/2
O1B      0 1/3   0
O2B   1/12   0 1/3
O3B   1/12 1/3 1/3
O1C    .25 1/6 5/6
O2C    1/6   0   0
O3C    1/6 1/3   0
O1D    1/6 2/3   0
O2D    .25   0 1/3
O3D    .25 2/3 1/3
O1E   5/12 2/3 1/3
O2E    1/3   0   0
O3E    1/3 2/3   0
O1F    1/3 1/3   0
O2F   5/12   0 1/3
O3F   5/12 1/3 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14a based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003014
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  7/48 5/6 2/3
SiB  3/16 1/6 1/3
SiC  5/16 1/6 1/3
SiD 17/48 5/6   0
SiE 25/48 1/3 1/6
SiF  1/48 5/6 1/3
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
Mg1b  .25 2/3 5/6
Mg2b  .25 1/2 1/3
Mg1c 5/12 1/6   0
Mg2c 5/12   0 1/2
O1A  5/24 5/6 2/3
O2A   1/8   0 5/6
O3A   1/8 5/6 1/3
O1B   1/8 1/6 1/3
O2B  5/24   0 1/6
O3B  5/24 1/6 2/3
O1C   3/8 1/6 1/3
O2C  7/24   0 1/2
O3C  7/24 1/6   0
O1D  7/24 5/6   0
O2D   3/8   0 5/6
O3D   3/8 5/6 1/3
O1E 11/24 1/3 1/6
O2E 13/24   0 5/6
O3E 13/24 1/6 1/3
O1F 23/24 5/6 1/3
O2F  1/24   0 1/6
O3F  1/24 5/6 2/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14b based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003015
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  1/12
SiB  5/48 1/12 11/12
SiC 11/48 1/12   1/4
SiD 13/48 7/12  5/12
SiE 19/48 7/12  5/12
SiF  7/16 1/12  7/12
Mg1a    0 1/12   1/4
Mg2a    0  .25   3/4
Mg1b  1/6 5/12   1/4
Mg2b  1/6  .25   3/4
Mg1c  1/3 1/12 11/12
Mg2c  1/3  .25  5/12
Mg1d  1/2 5/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 7/12  1/12
O2A  1/24  .25  5/12
O3A  1/24 7/12  5/12
O1B  1/24 1/12 11/12
O2B   1/8  .25  1/12
O3B   1/8 1/12  7/12
O1C  7/24 1/12   1/4
O2C  5/24  .25  5/12
O3C  5/24 1/12 11/12
O1D  5/24 7/12  5/12
O2D  7/24  3/4   1/4
O3D  7/24 5/12   1/4
O1E 11/24 7/12  5/12
O2E   3/8  .25  1/12
O3E   3/8 7/12  1/12
O1F   3/8 1/12  7/12
O2F 11/24  .25  5/12
O3F 11/24 1/12 11/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15a based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003016
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 5/6 1/3
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
SiB  7/48 2/3 1/6
SiC  3/16 1/6 1/3
Mg1b  .25 2/3 5/6
Mg2b  .25   0 5/6
SiD  5/16 1/3 1/6
SiE 17/48 5/6   0
Mg1c 5/12 1/6   0
Mg2c 5/12   0 1/2
SiF 23/48 2/3 1/6
O1A 23/24 5/6 1/3
O2A  1/24   0 1/6
O3A  1/24 5/6 2/3
O1B  5/24 2/3 1/6
O2B   1/8   0 5/6
O3B   1/8 5/6 1/3
O1C   1/8 1/6 1/3
O2C  5/24   0 1/6
O3C  5/24 1/3 1/6
O1D   3/8 1/3 1/6
O2D  7/24   0 1/2
O3D  7/24 1/6   0
O1E  7/24 5/6   0
O2E   3/8   0 1/6
O3E   3/8 2/3 1/6
O1F 13/24 2/3 1/6
O2F 11/24   0 5/6
O3F 11/24 5/6 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15b based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003017
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  1/12
SiB  5/48 1/12 11/12
Mg1a  1/6 5/12   1/4
Mg2a  1/6  .25   3/4
SiC 11/48 1/12   1/4
SiD 13/48 7/12  5/12
Mg1b  1/3 1/12  7/12
Mg2b  1/3  .25  1/12
SiE 19/48 7/12  1/12
SiF  7/16 1/12 11/12
Mg1c  1/2 5/12   1/4
Mg2c  1/2  .25   3/4
Mg1d    0 1/12   1/4
Mg2d    0  .25   3/4
O1A   1/8 7/12  1/12
O2A  1/24  .25  5/12
O3A  1/24 7/12  5/12
O1B  1/24 1/12 11/12
O2B   1/8  .25  1/12
O3B   1/8 1/12  7/12
O1C  7/24 1/12   1/4
O2C  5/24  .25  5/12
O3C  5/24 1/12 11/12
O1D  5/24 7/12  5/12
O2D  7/24  .25   3/4
O3D  7/24 5/12   1/4
O1E 11/24 7/12  1/12
O2E   3/8  .25  5/12
O3E   3/8 7/12  5/12
O1F   3/8 1/12 11/12
O2F 11/24  .25  1/12
O3F 11/24 1/12  7/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #16 based on stacking sequence ABABACABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003018
19.899748 6 3.4641016 90 100.024987862 90 Cc
atom     x    y     z
SiA   1/48 5/12 17/48
SiB   1/16 1/12  1/16
Mg1a   1/8 5/12 19/24
Mg2a   1/8  .25  7/24
SiC   3/16 1/12 25/48
SiD  11/48 5/12 11/48
Mg1b  7/24 1/12 23/24
Mg2b  7/24  .25 11/24
SiE  17/48 7/12 25/48
SiF  19/48 1/12 19/48
Mg1c 11/24 5/12 19/24
Mg2c 11/24  .25  7/24
O1A   1/12 5/12  5/12
O2A      0  3/4     0
O3A      0 5/12     0
O1B      0 1/12     0
O2B   1/12  .25 11/12
O3B   1/12 1/12  5/12
O1C    .25 1/12  7/12
O2C    1/6  .25   2/3
O3C    1/6 1/12   1/6
O1D    1/6 5/12   1/6
O2D    .25  3/4  7/12
O3D    .25 5/12  7/12
O1E   5/12 7/12  7/12
O2E    1/3  3/4   1/3
O3E    1/3 5/12   1/3
O1F    1/3 1/12   1/3
O2F   5/12  .25  7/12
O3F   5/12 1/12  1/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17a based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003019
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12  7/12
SiB  5/48 7/12  5/12
Mg1b  1/6 1/12 11/12
Mg2b  1/6  .25  5/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12   1/4
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12  7/12
SiF  7/16 5/12   1/4
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12  7/12
O2A  1/24  .25  5/12
O3A  1/24 1/12 11/12
O1B  1/24 7/12  5/12
O2B   1/8  .25  1/12
O3B   1/8 7/12  1/12
O1C  7/24 7/12  1/12
O2C  5/24  3/4   1/4
O3C  5/24 5/12   1/4
O1D  5/24 1/12   1/4
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E 11/24 1/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 1/12   1/4
O1F   3/8 5/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 7/12  1/12
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17b based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003020
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 2/3 1/3
Mg1a 1/12 1/6 1/2
Mg2a 1/12   0   0
SiB  7/48 2/3   0
SiC  3/16 1/3 1/3
Mg1b  .25 2/3 2/3
Mg2b  .25   0 2/3
SiD  5/16 1/3   0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12   0 2/3
SiF 23/48 5/6 1/6
O1A 23/24 2/3 1/3
O2A  1/24   0 2/3
O3A  1/24 2/3 2/3
O1B  5/24 2/3   0
O2B   1/8   0 1/3
O3B   1/8 2/3 1/3
O1C   1/8 1/3 1/3
O2C  5/24   0   0
O3C  5/24 1/3   0
O1D   3/8 1/3   0
O2D  7/24   0 1/3
O3D  7/24 1/3 1/3
O1E  7/24 2/3 1/3
O2E   3/8   0   0
O3E   3/8 2/3   0
O1F 13/24 5/6 1/6
O2F 11/24   0 1/3
O3F 11/24 2/3 1/3
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #18 based on stacking sequence ABABACBABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003021
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/16 1/6 1/3
SiB   1/48 2/3 1/6
Mg1a   1/8 2/3 1/2
Mg2a   1/8   0 1/2
SiC   3/16 1/3 1/6
SiD  11/48 5/6 1/3
Mg1b  7/24 1/6   0
Mg2b  7/24   0 1/2
SiE  17/48 5/6   0
SiF  19/48 1/6 1/3
Mg1c 11/24 2/3 5/6
Mg2c 11/24   0 5/6
O1A      0 1/6 1/3
O2A   1/12   0 1/6
O3A   1/12 1/3 1/6
O1B   1/12 2/3 1/6
O2B      0   0 5/6
O3B      0 2/3 5/6
O1C    .25 1/3 1/6
O2C    1/6 1/2 1/3
O3C    1/6 1/6 1/3
O1D    1/6 5/6 1/3
O2D    .25   0 1/6
O3D    .25 2/3 1/6
O1E   5/12 5/6   0
O2E    1/3   0 5/6
O3E    1/3 2/3 5/6
O1F    1/3 1/6 1/3
O2F   5/12   0 1/2
O3F   5/12 1/6   0
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19a based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003022
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 1/3 1/3
Mg1a 1/12 2/3 1/3
Mg2a 1/12 1/2 5/6
SiB  7/48 1/3 1/3
SiC  3/16 2/3   0
Mg1b  .25 1/6 1/6
Mg2b  .25   0 2/3
SiD  5/16 2/3 1/3
SiE 17/48 1/3   0
Mg1c 5/12 2/3   0
Mg2c 5/12   0   0
SiF 23/48 1/3 1/3
O1A 23/24 1/3 1/3
O2A  1/24   0 2/3
O3A  1/24 1/3 2/3
O1B  5/24 1/3 1/3
O2B   1/8   0   0
O3B   1/8 1/6 1/2
O1C   1/8 2/3   0
O2C  5/24   0 1/3
O3C  5/24 2/3 1/3
O1D   3/8 2/3 1/3
O2D  7/24   0   0
O3D  7/24 2/3   0
O1E  7/24 1/3   0
O2E   3/8   0 1/3
O3E   3/8 1/3 1/3
O1F 13/24 1/3 1/3
O2F 11/24   0 2/3
O3F 11/24 1/3 2/3
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19b based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003023
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12   1/4
SiB  5/48 5/12 11/12
Mg1b  1/6 1/12 11/12
Mg2b  1/6  .25  5/12
SiC 11/48 5/12   1/4
SiD 13/48 1/12  7/12
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12 11/12
SiF  7/16 7/12  1/12
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12   1/4
O2A  1/24  .25  5/12
O3A  1/24 1/12 11/12
O1B  1/24 7/12  5/12
O2B   1/8  3/4   1/4
O3B   1/8 7/12   3/4
O1C  7/24 5/12   1/4
O2C  5/24  .25  1/12
O3C  5/24 7/12  1/12
O1D  5/24 1/12  7/12
O2D  7/24  .25   3/4
O3D  7/24 1/12   1/4
O1E 11/24 1/12 11/12
O2E   3/8  .25  1/12
O3E   3/8 1/12  7/12
O1F   3/8 7/12  1/12
O2F 11/24  .25  5/12
O3F 11/24 7/12  5/12
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20a based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003024
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12 11/12
SiB  5/48 7/12  1/12
Mg1b  1/6 1/12  7/12
Mg2b  1/6  .25  1/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12   1/4
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE  7/16 5/12   1/4
SiF 19/48 1/12 11/12
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12 11/12
O2A  1/24  .25  1/12
O3A  1/24 1/12  7/12
O1B  1/24 7/12  1/12
O2B   1/8  .25  5/12
O3B   1/8 7/12  5/12
O1C  7/24 7/12  1/12
O2C  5/24  3/4   1/4
O3C  5/24 5/12   1/4
O1D  5/24 1/12   1/4
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E   5/8 5/12   1/4
O2E 13/24  .25  1/12
O3E 13/24 7/12  1/12
O1F 13/24 1/12  7/12
O2F   5/8  .25   3/4
O3F   5/8 1/12   1/4
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20b based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003025
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 2/3 1/6
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
SiB  7/48 5/6   0
SiC  3/16 1/3 1/6
Mg1b  .25 2/3 1/6
Mg2b  .25   0 1/6
SiD  5/16 1/6   0
SiE 17/48 5/6 1/3
Mg1c 5/12 1/6 1/3
Mg2c 5/12   0 5/6
SiF 23/48 5/6 1/3
O1A 23/24 2/3 1/6
O2A  1/24   0 5/6
O3A  1/24 5/6 1/3
O1B  5/24 5/6   0
O2B   1/8   0 1/6
O3B   1/8 2/3 1/6
O1C   1/8 1/3 1/6
O2C  5/24 1/2   0
O3C  5/24 1/6   0
O1D   3/8 1/6   0
O2D  7/24   0 5/6
O3D  7/24 1/6 1/3
O1E  7/24 5/6 1/3
O2E   3/8 1/2   0
O3E   3/8 5/6   0
O1F 13/24 5/6 1/3
O2F 11/24   0 1/6
O3F 11/24 2/3 1/6
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21a based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003026
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3   0
SiB   1/16 1/6 1/6
Mg1a   1/8 2/3 1/3
Mg2a   1/8   0 1/3
SiC   3/16 1/3   0
SiD  11/48 5/6 1/6
Mg1b  7/24 1/6 1/6
Mg2b  7/24   0 2/3
SiE  17/48 5/6 1/6
SiF  19/48 1/3 1/3
Mg1c 11/24 2/3   0
Mg2c 11/24   0   0
O1A   1/12 2/3   0
O2A      0   0 2/3
O3A      0 2/3 2/3
O1B      0 1/6 1/6
O2B   1/12   0   0
O3B   1/12 1/3   0
O1C    .25 1/3   0
O2C    1/6   0 2/3
O3C    1/6 1/3 2/3
O1D    1/6 5/6 1/6
O2D    .25   0   0
O3D    .25 2/3   0
O1E   5/12 5/6 1/6
O2E    1/3   0 1/3
O3E    1/3 2/3 1/3
O1F    1/3 1/3 1/3
O2F   5/12   0 2/3
O3F   5/12 1/6 1/6
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21b based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003027
19.595917 6 3.4641016 90 90 90 P2_1cn
atom    x   y   z
Mg1a 1/24 2/3 1/3
Mg2a 1/24 1/2 5/6
SiA  5/48 1/6 1/6
SiB  7/48 2/3   0
Mg1b 5/24 1/6 5/6
Mg2b 5/24   0 1/3
SiC 13/48 2/3 1/3
SiD  5/16 1/3   0
Mg1c  3/8 2/3   0
Mg2c  3/8   0   0
SiE  7/16 1/3 1/3
SiF 23/48 5/6 1/6
O1A   1/6 1/6 1/6
O2A  1/12   0   0
O3A  1/12 1/3   0
O1B  1/12 2/3   0
O2B   1/6   0 2/3
O3B   1/6 2/3 2/3
O1C   1/3 2/3 1/3
O2C   .25   0   0
O3C   .25 2/3   0
O1D   .25 1/3   0
O2D   1/3   0 1/3
O3D   1/3 1/3 1/3
O1E   1/2 1/3 1/3
O2E  5/12   0 2/3
O3E  5/12 1/3 2/3
O1F  5/12 5/6 1/6
O2F   1/2   0 1/3
O3F   1/2 2/3 1/3
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22a based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003028
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12   1/4
SiB  5/48 7/12  1/12
Mg1b  1/6 1/12  7/12
Mg2b  1/6  .25  1/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12 11/12
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12  7/12
SiF  7/16 5/12   1/4
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12   1/4
O2A  1/24  .25  1/12
O3A  1/24 1/12  7/12
O1B  1/24 7/12  1/12
O2B   1/8  3/4   1/4
O3B   1/8 5/12   1/4
O1C  7/24 7/12  1/12
O2C  5/24  .25  5/12
O3C  5/24 7/12  5/12
O1D  5/24 1/12 11/12
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E 11/24 1/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 1/12   1/4
O1F   3/8 5/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 7/12  1/12
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22b based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003029
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 5/6 1/6
Mg1a 1/12 1/6 1/6
Mg2a 1/12   0 2/3
SiB  7/48 5/6 1/6
SiC  3/16 1/3   0
Mg1b  .25 2/3   0
Mg2b  .25   0   0
SiD  5/16 1/3   0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12   0 2/3
SiF 23/48 2/3 2/3
O1A 23/24 5/6 1/6
O2A  1/24   0 1/3
O3A  1/24 2/3 1/3
O1B  5/24 5/6 1/6
O2B   1/8   0   0
O3B   1/8 2/3   0
O1C   1/8 1/3   0
O2C  5/24   0 2/3
O3C  5/24 1/6 1/6
O1D   3/8 1/3   0
O2D  7/24   0 1/3
O3D  7/24 1/3 1/3
O1E  7/24 2/3 1/3
O2E   3/8   0   0
O3E   3/8 2/3   0
O1F 13/24 2/3 2/3
O2F 11/24   0 1/3
O3F 11/24 2/3 1/3
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #23 based on stacking sequence ABACBACBCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003030
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3   0
SiB   1/16 1/6 1/6
Mg1a   1/8 2/3 1/3
Mg2a   1/8   0 1/3
SiC   3/16 1/3 1/3
SiD  11/48 5/6 1/6
Mg1b  7/24 1/6 1/6
Mg2b  7/24   0 2/3
SiE  17/48 5/6 1/6
SiF  19/48 1/3   0
Mg1c 11/24 2/3   0
Mg2c 11/24   0   0
O1A   1/12 2/3   0
O2A      0   0 2/3
O3A      0 2/3 2/3
O1B      0 1/6 1/6
O2B   1/12   0   0
O3B   1/12 1/3   0
O1C    .25 1/3 1/3
O2C    1/6   0 2/3
O3C    1/6 1/3 2/3
O1D    1/6 5/6 1/6
O2D    .25   0 1/3
O3D    .25 2/3 1/3
O1E   5/12 5/6 1/6
O2E    1/3   0   0
O3E    1/3 2/3   0
O1F    1/3 1/3   0
O2F   5/12   0 2/3
O3F   5/12 1/6 1/6
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #24 based on stacking sequence ABACBCABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003031
19.899748 6 3.4641016 90 100.024987862 90 C2/c
atom    x    y     z
Mg1a    0 5/12   3/4
Mg2a    0  .25   1/4
SiA  1/16 1/12 13/16
SiB  5/48 5/12 25/48
Mg1b  1/6 1/12   1/4
Mg2b  1/6  .25   3/4
SiC 11/48 5/12  5/16
O1A   1/8 1/12   7/8
O2A  1/24  .25 23/24
O3A  1/24 1/12 11/24
O1B  1/24 5/12 11/24
O2B   1/8  .25   3/8
O3B   1/8 7/12   3/8
O1C  7/24 5/12   3/8
O2C  5/24  3/4   5/8
O3C  5/24 5/12   5/8
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #25 based on stacking sequence ABABABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003032
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 5/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/6
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #26 based on stacking sequence ABABABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003033
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #27 based on stacking sequence ABABABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003034
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/2
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #28 based on stacking sequence ABABABACABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003035
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 5/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/6
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29a based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003036
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/2
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29b based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003037
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16 11/12 1/2
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 1/2
SiH  31/48 11/12 1/6
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48 11/12 5/6
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12   0
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/2
O3F    1/2  5/12   0
O1G    2/3  5/12   0
O2G   7/12   .25 1/6
O3G   7/12  7/12 1/6
O1H   7/12  1/12 2/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #30 based on stacking sequence ABABABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003038
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12   0
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12   0
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #31 based on stacking sequence ABABABACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003039
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 2/3
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32a based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003040
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32b based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003041
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 2/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12   0
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33a based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003042
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33b based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003043
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12 1/3
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   .25 5/6
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34a based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003044
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12 1/3
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34b based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003045
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  5/12 2/3
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 1/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  5/12 2/3
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12   0
O2J    3/4   .25 5/6
O3J    3/4  1/12 1/3
O1K    3/4  5/12 1/3
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35a based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003046
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12 1/3
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48  1/12   0
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35b based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003047
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12   0
Mg2d 13/24   .25 1/2
SiG  29/48  5/12   0
SiH  31/48  1/12 1/3
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48  1/12   0
SiK  13/16  5/12 2/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  5/12   0
O2G   7/12   3/4 1/3
O3G   7/12  5/12 1/3
O1H   7/12  1/12 1/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12   0
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   0
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #36 based on stacking sequence ABABACABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003048
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
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