American Mineralogist Crystal Structure Database

90 matching records for this search.

Enstatite
Download hom/enstatite.pdf
Carlson W D, Swinnea J S, Miser D E
Download am/vol73/AM73_1255.pdf
American Mineralogist 73 (1988) 1255-1263
Stability of orthoenstatite at high temperature and low pressure
_database_code_amcsd 0001201
18.280 8.834 5.197 90 90 90 Pbca
atom     x     y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .3756 .6539  .8684       .0068  .0071  .0064  .0003 -.0011  .0002
Mg2  .3769 .4846  .3627 .948  .0093  .0132  .0074 -.0021 -.0019 -.0017
Ca2  .3769 .4846  .3627 .052  .0093  .0132  .0074 -.0021 -.0019 -.0017
SiA  .2715 .3416  .0495       .0049  .0053  .0061 -.0006  .0005 -.0004
SiB  .4741 .3379  .7967       .0052  .0060  .0059  .0006  .0002  .0002
O1A  .1834 .3399  .0371       .0049  .0082  .0062 -.0001  .0001 -.0005
O2A  .3107 .5019  .0435       .0085  .0075  .0073 -.0016 -.0010  .0011
O3A  .3027 .2249 -.1714       .0075  .0103  .0089 -.0005  .0016 -.0044
O1B  .5627 .3403  .7981       .0052  .0089  .0073 -.0001 -.0012  .0001
O2B  .4335 .4844  .6933       .0103  .0098  .0099  .0033  .0015  .0030
O3B  .4478 .1986  .5988       .0082  .0114  .0090 -.0003 -.0004 -.0028
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Enstatite
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Angel R J, Gasparik T, Finger L W
Download am/vol74/AM74_599.pdf
American Mineralogist 74 (1989) 599-603
Crystal structure of a Cr-bearing pyroxene
Sample: Mg1.4Cr.6Si2O6
_database_code_amcsd 0001244
9.713 8.910 5.238 90 109.41 90 P2_1/c
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .2506 .6537 .2253 .946 0.0019 0.0021 0.0034  .0001  .0004  .0008
Cr1  .2506 .6537 .2253 .054 0.0019 0.0021 0.0034  .0001  .0004  .0008
Mg2  .2528 .0162 .2209 .479 0.0019 0.0019 0.0044  .0005  .0003  .0002
Cr2  .2528 .0162 .2209 .521 0.0019 0.0019 0.0044  .0005  .0003  .0002
SiA  .0456 .3387 .2891 .983 0.0020 0.0020 0.0040 -.0003  .0011  .0001
CrA  .0456 .3387 .2891 .017 0.0020 0.0020 0.0040 -.0003  .0011  .0001
SiB  .5493 .8381 .2437 .981 0.0012 0.0017 0.0043  .0002  .0002  .0002
CrB  .5493 .8381 .2437 .019 0.0012 0.0017 0.0043  .0002  .0002  .0002
O1A  .8694 .3347 .1748      0.0020 0.0030  0.005  .0008  .0004   .001
O2A  .1226 .4984 .3269      0.0024 0.0011  0.006 -.0007  .0016  -.001
O3A  .1092 .2753 .6055      0.0021 0.0020  0.002 -.0007 -.0002  .0012
O1B  .3726 .8399 .1336      0.0009 0.0023  0.003 -.0006  .0000   .000
O2B  .6321 .9871 .3820      0.0034 0.0017  0.008 -.0010  .0034  -.001
O3B  .6021 .7066 .4834      0.0013 0.0025  0.003  .0000 -.0015  .0013
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Enstatite
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Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 0 GPa
_database_code_amcsd 0001644
18.233 8.8191 5.1802 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3763 .6541 .8663  .67
Mg2  .3769 .4872 .3589  .82
SiA  .2715 .3418 .0506  .58
SiB  .4736 .3374 .7981  .59
O1a  .1835 .3407  .034  .64
O2a  .3114 .5029  .043  .61
O3a  .3025 .2224  .832  .43
O1b  .5622 .3414  .798  .95
O2b  .4324 .4836  .690  .57
O3b  .4483 .1951  .603  .57
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Enstatite
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Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 1.04 GPa
_database_code_amcsd 0001645
18.186 8.782 5.1610 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3768 .6545 .8627  .51
Mg2  .3770 .4860 .3556  .64
SiA  .2716 .3421 .0482  .49
SiB  .4737 .3365 .7997  .41
O1a  .1823  .338  .032  .87
O2a  .3111  .504  .043  .59
O3a  .3030  .223  .829  .18
O1b  .5627  .340  .800  .63
O2b  .4315  .483  .686  .37
O3b  .4472  .194  .607  .52
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 1.95 GPa
_database_code_amcsd 0001646
18.148 8.756 5.1493 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3760 .6556  .862  .24
Mg2  .3768 .4843  .355  .54
SiA  .2707 .3436  .046  .22
SiB  .4732 .3359 .8013  .21
O1a  .1826  .342  .031  .23
O2a  .3094  .507  .040  .16
O3a  .3038  .223  .825  .12
O1b  .5622  .340  .804  .38
O2b  .4327  .483  .691  .22
O3b  .4482  .193  .611  .23
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 3.27 GPa
_database_code_amcsd 0001647
18.1045 8.7181 5.1327 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3762 .6557 .8598  .39
Mg2  .3774 .4856 .3532  .63
SiA  .2715 .3429 .0447  .34
SiB  .4729 .3377 .8015  .33
O1a  .1824 .3397  .027  .34
O2a  .3097 .5070  .037  .46
O3a  .3035 .2223  .825  .51
O1b  .5620 .3402  .807  .58
O2b  .4322 .4837  .687  .18
O3b  .4464 .1921  .612  .42
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 4.09 GPa
_database_code_amcsd 0001648
18.0710 8.6929 5.1214 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3758 .6557 .8596  .36
Mg2  .3774 .4844 .3512  .45
SiA  .2708 .3438 .0433  .24
SiB  .4727 .3368 .8021  .24
O1a  .1828  .339  .023  .25
O2a  .3097  .507  .039  .31
O3a  .3034  .224  .825  .21
O1b  .5621  .340  .804  .72
O2b  .4323  .483  .690  .30
O3b  .4472  .192  .612  .05
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 4.95 GPa
_database_code_amcsd 0001649
18.0455 8.6708 5.1119 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3760 .6552  .859  .28
Mg2  .3774 .4848  .350  .51
SiA  .2705 .3432  .041  .32
SiB  .4728 .3383 .8022  .15
O1a  .1827  .339  .024  .33
O2a  .3085  .508  .035  .09
O3a  .3042  .223  .826  .11
O1b  .5611  .340  .805  .34
O2b  .4325  .484  .685  .34
O3b  .4470  .190  .613  .07
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 5.85 GPa
_database_code_amcsd 0001650
18.011  8.652  5.102  90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3763 .6576 .8569  .51
Mg2  .3772 .4837 .3489  .40
SiA  .2710 .3436 .0414  .27
SiB  .4727 .3368 .8032  .28
O1a  .1821  .344  .024  .23
O2a  .3098  .508  .032  .61
O3a  .3034  .222  .820  .02
O1b  .5613  .338  .811  .52
O2b  .4324  .485  .686  .20
O3b  .4460  .190  .613  .20
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 7.00 GPa
_database_code_amcsd 0001651
17.983  8.6241 5.0902 90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3762 .6560 .8567  .33
Mg2  .3775 .4845 .3472  .47
SiA  .2711 .3431 .0399  .32
SiB  .4725 .3373 .8031  .26
O1a  .1828  .340  .021  .41
O2a  .3088  .509  .033  .48
O3a  .3044  .223  .817  .30
O1b  .5627  .336  .812  .55
O2b  .4330  .485  .686  .16
O3b  .4479  .190  .613  .19
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Enstatite
Download hom/enstatite.pdf
Hugh-Jones D A, Angel R J
Download am/vol79/AM79_405.pdf
American Mineralogist 79 (1994) 405-410
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
Sample: P = 8.10 GPa
_database_code_amcsd 0001652
17.950  8.604  5.080  90 90 90 Pbca
atom     x     y     z Biso
Mg1  .3766 .6589 .8558  .56
Mg2  .3774 .4834 .3462  .51
SiA  .2704 .3436 .0385  .27
SiB  .4730 .3383 .8042  .28
O1a  .1814  .344  .022  .27
O2a  .3082  .509  .031  .41
O3a  .3036  .222  .820  .62
O1b  .5602  .340  .812  .56
O2b  .4330  .486  .682  .19
O3b  .4451  .191  .615  .10
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Enstatite
Download hom/enstatite.pdf
Yang H, Ghose S
Download am/vol80/AM80_9.pdf
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 296 K
_database_code_amcsd 0001693
18.2747 8.8729 5.1988 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3757 .6543  .8702 .907  .0004  .0014  .0041  .0000 -.0001  .0000
Fe1  .3757 .6543  .8702 .093  .0004  .0014  .0041  .0000 -.0001  .0000
Mg2  .3776 .4848  .3640 .595  .0005  .0019  .0051 -.0001 -.0004  .0001
Fe2  .3776 .4848  .3640 .405  .0005  .0019  .0051 -.0001 -.0004  .0001
SiA  .2717 .3408  .0521       .0003  .0014  .0040  .0000  .0000  .0000
SiB  .4737 .3366  .7959       .0003  .0013  .0041  .0000 -.0001  .0000
O1A  .1836 .3383  .0401       .0003  .0018  .0061 -.0001  .0003 -.0001
O1B  .5626 .3387  .7968       .0003  .0018  .0059  .0000  .0000  .0001
O2A  .3112 .5008  .0496       .0005  .0019  .0068 -.0002 -.0003  .0004
O2B  .4334 .4841  .6927       .0005  .0017  .0067  .0002 -.0002  .0000
O3A  .3027 .2267 -.1703       .0005  .0029  .0052  .0000  .0000 -.0011
O3B  .4476 .1984  .5982       .0005  .0019  .0044 -.0001 -.0002 -.0003
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Enstatite
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Yang H, Ghose S
Download am/vol80/AM80_9.pdf
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 1000 K
_database_code_amcsd 0001694
18.3878 8.9577 5.2441 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3751 .6521  .8803 .916  .0012  .0047  .0111  .0000 -.0005  .0000
Fe1  .3751 .6521  .8803 .084  .0012  .0047  .0111  .0000 -.0005  .0000
Mg2  .3769 .4854  .3754 .586  .0018  .0066  .0162 -.0004 -.0017  .0006
Fe2  .3769 .4854  .3754 .414  .0018  .0066  .0162 -.0004 -.0017  .0006
SiA  .2719 .3400  .0592       .0008  .0037  .0097 -.0002  .0000 -.0004
SiB  .4747 .3371  .7887       .0008  .0038  .0096  .0002 -.0003  .0002
O1A  .1844 .3389  .0502       .0008  .0061  .0133 -.0003  .0002  .0004
O1B  .5627 .3403  .7898       .0008  .0061  .0151 -.0003 -.0007  .0007
O2A  .3112 .4985  .0624       .0015  .0050  .0172 -.0007 -.0005  .0004
O2B  .4338 .4845  .6996       .0017  .0047  .0142  .0011 -.0007  .0008
O3A  .3023 .2308 -.1688       .0011  .0080  .0124  .0002 -.0003 -.0039
O3B  .4483 .2058  .5831       .0014  .0068  .0147 -.0004  .0006 -.0037
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Enstatite
Download hom/enstatite.pdf
Yang H, Ghose S
Download am/vol80/AM80_9.pdf
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 1100 K
_database_code_amcsd 0001695
18.4105 8.9691 5.2540 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3751 .6518  .8826 .901  .0014  .0054  .0136  .0000 -.0008  .0002
Fe1  .3751 .6518  .8826 .099  .0014  .0054  .0136  .0000 -.0008  .0002
Mg2  .3767 .4856  .3784 .601  .0021  .0074  .0182 -.0003 -.0016  .0007
Fe2  .3767 .4856  .3784 .399  .0021  .0074  .0182 -.0003 -.0016  .0007
SiA  .2720 .3397  .0610       .0009  .0042  .0100 -.0003  .0000  .0000
SiB  .4750 .3376  .7864       .0009  .0043  .0111  .0000 -.0004  .0000
O1A  .1846 .3394  .0530       .0010  .0060  .0164  .0000  .0001 -.0006
O1B  .5627 .3405  .7888       .0009  .0071  .0167 -.0002 -.0006  .0008
O2A  .3111 .4976  .0654       .0019  .0058  .0192 -.0012 -.0006  .0009
O2B  .4342 .4853  .7012       .0017  .0049  .0196  .0011 -.0001  .0015
O3A  .3023 .2320 -.1675       .0015  .0094  .0137 -.0002  .0000 -.0047
O3B  .4489 .2084  .5780       .0015  .0081  .0178 -.0003  .0005 -.0047
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Enstatite
Download hom/enstatite.pdf
Yang H, Ghose S
Download am/vol80/AM80_9.pdf
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 1200 K
_database_code_amcsd 0001696
18.4317 8.9822 5.2647 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3750 .6511  .8884 .885  .0016  .0066  .0153  .0000 -.0006  .0002
Fe1  .3750 .6511  .8884 .115  .0016  .0066  .0153  .0000 -.0006  .0002
Mg2  .3763 .4863  .3853 .617  .0024  .0088  .0222 -.0005 -.0021  .0008
Fe2  .3763 .4863  .3853 .383  .0024  .0088  .0222 -.0005 -.0021  .0008
SiA  .2721 .3396  .0656       .0010  .0049  .0117 -.0002  .0000 -.0004
SiB  .4756 .3380  .7807       .0010  .0049  .0136  .0001 -.0004  .0000
O1A  .1850 .3392  .0594       .0009  .0078  .0164  .0000  .0003  .0000
O1B  .5631 .3424  .7829       .0012  .0070  .0187 -.0005 -.0004 -.0003
O2A  .3115 .4965  .0726       .0021  .0065  .0218 -.0015 -.0010  .0010
O2B  .4347 .4870  .7052       .0020  .0069  .0224  .0014 -.0003  .0020
O3A  .3022 .2339 -.1658       .0017  .0117  .0141  .0004 -.0004 -.0059
O3B  .4490 .2136  .5664       .0013  .0117  .0249 -.0006  .0004 -.0075
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Enstatite
Download hom/enstatite.pdf
Yang H, Ghose S
Download am/vol80/AM80_9.pdf
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 1300 K
_database_code_amcsd 0001697
18.5132 8.9809 5.3243 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3746 .6502  .9084 .881  .0018  .0070  .0170  .0000 -.0005  .0003
Fe1  .3746 .6502  .9084 .119  .0018  .0070  .0170  .0000 -.0005  .0003
Mg2  .3753 .4870  .4080 .621  .0027  .0103  .0237 -.0004 -.0017  .0003
Fe2  .3753 .4870  .4080 .379  .0027  .0103  .0237 -.0004 -.0017  .0003
SiA  .2717 .3391  .0829       .0013  .0053  .0137 -.0003 -.0003 -.0002
SiB  .4773 .3391  .7612       .0011  .0061  .0138  .0002 -.0002  .0005
O1A  .1849 .3410  .0788       .0011  .0088  .0181  .0000 -.0009  .0007
O1B  .5642 .3431  .7637       .0013  .0082  .0265 -.0004 -.0003  .0016
O2A  .3126 .4951  .0918       .0028  .0065  .0251 -.0013  .0001  .0002
O2B  .4363 .4938  .7223       .0024  .0077  .0244  .0019  .0006  .0006
O3A  .3018 .2380 -.1556       .0015  .0140  .0210 -.0002  .0000 -.0080
O3B  .4508 .2405  .5190       .0022  .0186  .0308 -.0010  .0007 -.0170
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Enstatite
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Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
Download am/vol80/AM80_923.pdf
American Mineralogist 80 (1995) 923-929
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
estimation of C2/c pyroxene contributions to apparent Pbca diffraction
violations
Sample: OPX SDM N.13, natural
_database_code_amcsd 0001755
18.316 8.907 5.218 90 90 90 Pbca
atom      x      y       z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sia  .27149 .34060  .05180      .00044 .00135 .00294 -.00013 -.00001 -.00008
Sib  .47403 .33660  .79535      .00047 .00154 .00219  .00014  .00009  .00001
Mg1  .37540 .65459  .87426 .896 .00056 .00177 .00263  .00000 -.00015  .00015
Fe1  .37540 .65459  .87426 .104 .00056 .00177 .00263  .00000 -.00015  .00015
Fe2  .37797 .48308  .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008
Mg2  .37797 .48308  .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008
Ca2  .37797 .48308  .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008
O1a  .18355 .33731  .04361      .00046 .00239 .00322 -.00010  .00033  .00016
O1b  .56266 .33632  .79552      .00042 .00255 .00364  .00011 -.00036  .00031
O2a  .31117 .50053  .05332      .00069 .00192 .00466 -.00020 -.00058  .00004
O2b  .43402 .48555  .69789      .00070 .00249 .00455  .00032 -.00019  .00076
O3a  .30233 .23184 -.17642      .00060 .00273 .00635  .00001  .00036 -.00239
O3b  .44739 .20280  .59356      .00062 .00280 .00649 -.00003 -.00014 -.00234
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Enstatite
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Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
Download am/vol80/AM80_923.pdf
American Mineralogist 80 (1995) 923-929
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
estimation of C2/c pyroxene contributions to apparent Pbca diffraction
violations
Sample: OPX SDM N.7, heated
_database_code_amcsd 0001756
18.320 8.917 5.219 90 90 90 Pbca
atom      x      y       z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sia  .27178 .34044  .05067      .00035 .00100 .00544 -.00020 -.00014  .00006
Sib  .47383 .33640  .79521      .00044 .00132 .00450  .00021  .00028  .00020
Fe1  .37558 .65406  .87255 .232 .00044 .00145 .00435 -.00003  .00008  .00008
Mg1  .37558 .65406  .87255 .768 .00044 .00145 .00435 -.00003  .00008  .00008
Fe2  .37776 .48319  .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006
Mg2  .37776 .48319  .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006
Ca2  .37776 .48319  .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006
O1a  .18414 .33775  .03730      .00031 .00196 .00475 -.00008 -.00009  .00090
O1b  .56235 .33755  .79219      .00021 .00280 .00449  .00011 -.00009  .00101
O2a  .31098 .49976  .04844      .00038 .00262 .00658 -.00036 -.00045  .00053
O2b  .43401 .48420  .69768      .00054 .00341 .00609  .00020 -.00002  .00020
O3a  .30222 .23043 -.17242      .00060 .00300 .00629 -.00038  .00063 -.00173
O3b  .44755 .20209  .59672      .00067 .00262 .00584  .00005 -.00002 -.00273
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Enstatite
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Nestola F, Gatta G D, Ballaran T B
Download am/vol91/AM91_809.pdf
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 0.0001 GPa
_database_code_amcsd 0004153
18.2588 8.8229 5.1899 90 90 90 Pbca
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .37693 .48481 .36233 .93 .0102  .0098  .0122  .0085 -.0026 -.0016 -.0016
CaM2 .37693 .48481 .36233 .07 .0102  .0098  .0122  .0085 -.0026 -.0016 -.0016
MgM1 .37569 .65408  .8681     .0067  .0074  .0067  .0061 -.0000 -.0007  .0004
SiA  .27146 .34153 .04929     .0055
SiB  .47419 .33778  .7968     .0055
O1A  .18349  .3397  .0365     .0067
O2A  .31076  .5022  .0436     .0082
O3A  .30291  .2246  .8286     .0088
O1B  .56276  .3400  .7987     .0069
O2B  .43337  .4842  .6921     .0100
O3B  .44767  .1986  .5991     .0086
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Enstatite
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Nestola F, Gatta G D, Ballaran T B
Download am/vol91/AM91_809.pdf
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 1.76 GPa
_database_code_amcsd 0004154
18.201 8.768 5.154 90 90 90 Pbca
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .3768 .4829 .3597 .93  .014   .012   .013   .016  -.003  -.004  -.005
CaM2 .3768 .4829 .3597 .07  .014   .012   .013   .016  -.003  -.004  -.005
MgM1 .3762 .6560 .8650      .007   .008   .005   .009   .002  -.001  -.000
SiA  .2710 .3411 .0448     .0064
SiB  .4740 .3376 .7999     .0064
O1A  .1830 .3406 .0340      .005
O2A  .3102 .5041 .0368      .007
O3A  .3035 .2255 .8270      .005
O1B  .5619 .3396 .8023      .010
O2B  .4337 .4864 .6852      .009
O3B  .4472 .1970 .6067      .009
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Enstatite
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Nestola F, Gatta G D, Ballaran T B
Download am/vol91/AM91_809.pdf
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 3.36 GPa
_database_code_amcsd 0004155
18.093 8.750 5.127 90 90 90 Pbca
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .3772 .4823 .3548 .93  .010   .008   .013   .009  -.003   .001  -.006
CaM2 .3772 .4823 .3548 .07  .010   .008   .013   .009  -.003   .001  -.006
MgM1 .3758 .6558 .8619      .008   .006   .009   .007  -.001   -.00   .004
SiA  .2710 .3427 .0428     .0057
SiB  .4736 .3382 .8019     .0070
O1A  .1824 .3398 .0278      .007
O2A  .3099 .5042 .0344      .009
O3A  .3030 .2255 .8201      .007
O1B  .5625 .3396 .8059      .010
O2B  .4337 .4846 .6886      .006
O3B  .4467 .1945 .6052      .010
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Enstatite
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Nestola F, Gatta G D, Ballaran T B
Download am/vol91/AM91_809.pdf
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 3.94 GPa
_database_code_amcsd 0004156
18.108 8.7215 5.120 90 90 90 Pbca
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .3772 .4828 .3549 .93 .0112   .004   .013   .016   .004  -.002  -.003
CaM2 .3772 .4828 .3549 .07 .0112   .004   .013   .016   .004  -.002  -.003
MgM1 .3761 .6564 .8616     .0079   .004   .006   .013  -.004  -.000   .002
SiA  .2711 .3423 .0408     .0054
SiB  .4739 .3388 .8008     .0061
O1A  .1826 .3409 .0298      .009
O2A  .3097 .5068 .0371      .008
O3A  .3036 .2258 .8208      .006
O1B  .5618 .3396 .8011      .007
O2B  .4327 .4856 .6908      .008
O3B  .4459 .1942 .6057      .006
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Enstatite
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Nestola F, Gatta G D, Ballaran T B
Download am/vol91/AM91_809.pdf
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 6.25 GPa
_database_code_amcsd 0004157
18.022 8.6578 5.085 90 90 90 Pbca
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .3779 .4811 .3530 .93  .012   .009   .012   .014   .001   .003  -.005
CaM2 .3779 .4811 .3530 .07  .012   .009   .012   .014   .001   .003  -.005
MgM1 .3762 .6566 .8576      .007   .008   .006   .006  -.001  -.003   .005
SiA  .2705 .3437 .0376     .0051
SiB  .4736 .3382 .8042     .0064
O1A  .1821 .3407 .0237      .007
O2A  .3092 .5057 .0355      .003
O3A  .3035 .2218 .8147      .008
O1B  .5628 .3395 .8134      .010
O2B  .4332 .4847 .6861      .006
O3B  .4458 .1917 .6085      .013
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Enstatite
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Smyth J R, Mierdel K, Keppler H, Langenhorst F, Dubrovinsky L, Nestola F
Download am/vol92/AM92_973.pdf
American Mineralogist 92 (2007) 973-976
Crystal chemistry of hydration in aluminous orthopyroxene
Locality: synthetic
_database_code_amcsd 0004362
18.1876 8.7352 5.1789 90 90 90 Pbca
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .37904 .48367 .35223 .958 .0086  .0104  .0101  .0054 -.0012 -.0020  .0000
MgM1 .37604 .65378 .86086  .79 .0061  .0062  .0080  .0042 -.0001 -.0009 -.0002
AlM1 .37604 .65378 .86086  .21 .0061  .0062  .0080  .0042 -.0001 -.0009 -.0002
Si1  .27135 .34230 .04527      .0058  .0056  .0080  .0039 -.0006 -.0001  .0002
Si2  .47307 .33717 .80610  .75 .0075  .0068  .0097  .0060  .0001  .0002  .0004
Al2  .47307 .33717 .80610  .25 .0075  .0068  .0097  .0060  .0001  .0002  .0004
O1a  .18267  .3391  .0325      .0082  .0057  .0117  .0072 -.0012 -.0010  .0016
O2a  .31066  .5049  .0380      .0082  .0084  .0102  .0061 -.0020 -.0005  .0002
O3a  .30260  .2233 -.1737      .0083  .0079  .0121  .0051 -.0003  .0001 -.0017
O1b  .56356  .3374  .8088      .0090  .0077  .0114  .0079 -.0008  .0016  .0020
O2b  .43269  .4854  .6889      .0093  .0091  .0132  .0055 -.0017 -.0011  .0004
O3b  .44653  .1910  .6142      .0093  .0079  .0108  .0092  .0002  .0010 -.0023
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Enstatite
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Zhang J S, Dera P, Bass J D
 
American Mineralogist 97 (2012) 1070-1074
A new high-pressure phase transition in natural Fe-bearing orthoenstatite
Locality: San Carlos, Arizona, USA
Note: P = 12.66 GPa
_database_code_amcsd 0019068
17.868 8.491 5.0565 90 90 90 Pbca
atom     x     y      z  occ Uiso
Mg1  .3762 .6585  .8537 .973 .007
Mg2  .3780 .4790  .3482 .853 .009
Fe1  .3762 .6585  .8537 .027 .007
Fe2  .3780 .4790  .3482 .147 .009
SiA  .2706 .3446  .0331      .006
SiB  .4726 .3382  .8052      .006
O1a  .1818 .3404  .0201      .007
O2a  .3086 .5120  .0287      .008
O3a  .3045 .2247 -.1868      .010
O1b  .5630 .3383  .8114      .008
O2b  .4333 .4886  .6826      .010
O3b  .4444 .1890  .6169      .009
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Enstatite
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Zhang J S, Dera P, Bass J D
 
American Mineralogist 97 (2012) 1070-1074
A new high-pressure phase transition in natural Fe-bearing orthoenstatite
Locality: San Carlos, Arizona, USA
Note: P = 14.26 GPa
_database_code_amcsd 0019069
17.87 8.526 4.9485 90 92.88 90 P2_1/c
atom      x     y      z occ  Uiso
Mg1-1 .3759 .6574  .8231 .96  .009
Mg1-2 .1254 .3419  .3658 .95  .008
Mg2-1 .3826 .4820  .3282 .84 .0116
Mg2-2 .1247 .5275  .8672 .88  .009
Fe1-1 .3759 .6574  .8231 .04  .009
Fe1-2 .1254 .3419  .3658 .05  .008
Fe2-1 .3826 .4820  .3282 .16 .0116
Fe2-2 .1247 .5275  .8672 .12  .009
SiA-1 .2716 .3414  .0258     .0069
SiA-2 .2271 .6572  .4422     .0092
SiB-1 .4721 .3398  .8079     .0084
SiB-2 .0249 .6585  .3125     .0101
O1a-1 .1835 .3414  .0380      .006
O1a-2 .3157 .6630  .4710      .004
O2a-1 .3112 .5080 -.0120      .005
O2a-2 .1871 .5030  .5470      .014
O3a-1 .3046 .2090  .8390      .010
O3a-2 .1968 .7020  .1280      .014
O1b-1 .5637 .3340  .8280      .010
O1b-2 .9370 .6520  .3080      .006
O2b-1 .4368 .4960  .6780      .010
O2b-2 .0619 .5152  .1850      .001
O3b-1 .4447 .1854  .6200      .010
O3b-2 .0534 .8130  .1310      .007
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 0.00010(1) GPa
Locality: synthetic
_database_code_amcsd 0019515
18.210 8.820 5.1767 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3769 .4868 .3589 .0096
Mg1   .3759 .6538 .8659 .0069
SiTA .27146 .3420 .0505 .0065
SiTB .47368 .3370 .7985 .0052
O1A   .1832 .3392 .0359 .0040
O2A   .3110 .5022 .0432 .0080
O3A   .3028 .2232 .8299 .0056
O1B   .5626 .3396 .7995 .0047
O2B   .4325 .4820 .6888 .0075
O3B   .4478 .1957 .6037 .0039
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 0.22(3) GPa
Locality: synthetic
_database_code_amcsd 0019516
18.204 8.810 5.1731 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3767 .4863 .3577 .0094
Mg1   .3759 .6538 .8654 .0069
SiTA .27160 .3419 .0494 .0051
SiTB .47346 .3374 .7989 .0051
O1A   .1832 .3392 .0354 .0048
O2A   .3105 .5028 .0428 .0067
O3A   .3030 .2242 .8294 .0056
O1B   .5627 .3402 .7998 .0060
O2B   .4325 .4826 .6885 .0081
O3B   .4477 .1954 .6050 .0049
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 1.23(4) GPa
Locality: synthetic
_database_code_amcsd 0019517
18.158 8.780 5.1574 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3771 .4853 .3555 .0095
Mg1   .3758 .6542 .8629 .0064
SiTA .27138 .3425 .0474 .0052
SiTB .47323 .3371 .8004 .0049
O1A   .1830 .3397 .0318 .0053
O2A   .3106 .5038 .0404 .0067
O3A   .3030 .2234 .8272 .0062
O1B   .5626 .3391 .8018 .0059
O2B   .4324 .4831 .6875 .0066
O3B   .4474 .1940 .6077 .0044
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 2.69(5) GPa
Locality: synthetic
_database_code_amcsd 0019518
18.105 8.734 5.1376 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3771 .4843 .3531 .0089
Mg1   .3760 .6550 .8608 .0060
SiTA .27120 .3428 .0448 .0049
SiTB .47305 .3376 .8018 .0047
O1A   .1828 .3397 .0288 .0054
O2A   .3106 .5049 .0376 .0073
O3A   .3033 .2235 .8252 .0057
O1B   .5624 .3393 .8036 .0060
O2B   .4326 .4831 .6858 .0075
O3B   .4471 .1929 .6103 .0041
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 4.19(4) GPa
Locality: synthetic
_database_code_amcsd 0019519
18.056 8.692 5.1192 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3772 .4837 .3511 .0088
Mg1   .3760 .6556 .8585 .0069
SiTA .27123 .3431 .0431 .0053
SiTB .47285 .3375 .8025 .0053
O1A   .1823 .3398 .0265 .0046
O2A   .3102 .5062 .0351 .0071
O3A   .3037 .2230 .8244 .0060
O1B   .5621 .3391 .8053 .0059
O2B   .4326 .4835 .6850 .0078
O3B   .4467 .1922 .6118 .0040
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 5.21(7) GPa
Locality: synthetic
_database_code_amcsd 0019520
18.019 8.668 5.1073 90 90 90 Pbca
atom     x     y     z  Uiso
Mg2  .3774 .4842 .3503 .0094
Mg1  .3761 .6561 .8583 .0068
SiTA .2711 .3432 .0422 .0059
SiTB .4729 .3375 .8028 .0056
O1A  .1827 .3404 .0262  .007
O2A  .3103 .5058 .0340  .008
O3A  .3034 .2222 .8239  .006
O1B  .5620 .3386 .8058 .0055
O2B  .4328 .4842 .6840  .007
O3B  .4467 .1915 .6129 .0039
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 6.57(5) GPa
Locality: synthetic
_database_code_amcsd 0019521
17.982 8.633 5.0926 90 90 90 Pbca
atom     x     y     z  Uiso
Mg2  .3776 .4831 .3488 .0090
Mg1  .3762 .6564 .8566 .0078
SiTA .2712 .3436 .0406 .0073
SiTB .4727 .3377 .8034 .0059
O1A  .1821 .3397 .0238  .005
O2A  .3102 .5069 .0324  .007
O3A  .3040 .2228 .8230  .006
O1B  .5623 .3386 .8068  .007
O2B  .4333 .4843 .6817  .007
O3B  .4456 .1908 .6148  .004
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 8.26(6) GPa
Locality: synthetic
_database_code_amcsd 0019522
17.933 8.595 5.0766 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3774 .4828 .3474 .0090
Mg1   .3763 .6571 .8546 .0065
SiTA  .2711 .3441 .0386 .0058
SiTB .47244 .3379 .8050 .0050
O1A   .1823 .3401 .0219 .0059
O2A   .3094 .5091 .0314  .008
O3A   .3042 .2223 .8219 .0047
O1B   .5615 .3393 .8089 .0068
O2B   .4332 .4852 .6812 .0079
O3B   .4457 .1895 .6159 .0043
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 8.65(7) GPa
Locality: synthetic
_database_code_amcsd 0019523
17.916 8.590 5.0726 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3774 .4828 .3474 .0087
Mg1   .3763 .6571 .8548 .0063
SiTA .27106 .3440 .0386 .0054
SiTB .47249 .3376 .8048 .0048
O1A   .1818 .3400 .0214 .0063
O2A   .3098 .5093 .0312  .007
O3A   .3043 .2224 .8210 .0044
O1B   .5618 .3384 .8089 .0063
O2B   .4332 .4849 .6814 .0066
O3B   .4457 .1888 .6164 .0040
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Enstatite
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Periotto B, Balic-Zunic T, Nestola F, Katerinopoulou A, Angel R J
 
American Mineralogist 97 (2012) 1741-1748
Re-investigation of the crystal structure of enstatite under high-pressure conditions
Note: P = 9.36(5) GPa
Locality: synthetic
_database_code_amcsd 0019524
17.897 8.575 5.0664 90 90 90 Pbca
atom      x     y     z  Uiso
Mg2   .3775 .4824 .3466 .0090
Mg1   .3765 .6575 .8544 .0065
SiTA  .2711 .3443 .0378 .0057
SiTB .47243 .3381 .8050 .0050
O1A   .1821 .3400 .0207 .0046
O2A   .3093 .5091 .0306  .008
O3A   .3043 .2224 .8211 .0043
O1B   .5619 .3386 .8100 .0060
O2B   .4331 .4855 .6809 .0070
O3B   .4455 .1885 .6171 .0039
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Enstatite
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Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020252
18.2810 8.8732 5.2070 90 90 90 Pbca
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1 .375580 .65446  .87128 .029 .00754 .00830 .00771 .00660 -.00008 -.00062  .00032
MgM1 .375580 .65446  .87128 .971 .00754 .00830 .00771 .00660 -.00008 -.00062  .00032
MgM2 .378034 .48345  .36509 .446 .00981 .01094 .01019 .00829 -.00110 -.00206  .00005
FeM2 .378034 .48345  .36509 .554 .00981 .01094 .01019 .00829 -.00110 -.00206  .00005
SiA  .271544 .34092  .05148      .00664 .00659 .00693 .00640 -.00052  .00020 -.00010
SiB  .473884 .33679  .79705      .00664 .00663 .00670 .00658  .00035 -.00044  .00014
O1A   .18346 .33838  .04147      .00799  .0065  .0090  .0085 -.00012   .0005  -.0003
O1B   .56251 .33764  .79832      .00814  .0069  .0091  .0085  .00013  -.0003   .0001
O2A   .31114 .50118  .05038      .00948  .0100  .0086  .0099  -.0025  -.0009   .0006
O2B   .43369 .48497  .69471      .00976  .0108  .0093  .0092   .0022  -.0007   .0013
O3A   .30269 .22822 -.17338      .01049  .0092  .0133  .0090   .0004  -.0001  -.0039
O3B   .44727 .19933  .59741      .01011  .0094  .0112  .0097  -.0012   .0001  -.0030
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Enstatite
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Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020253
18.3022 8.8816 5.2082 90 90 90 Pbca
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1 .375724 .65432  .87012 .155 .00805 .00925 .00768 .00722 -.00009 -.00064  .00035
MgM1 .375724 .65432  .87012 .845 .00805 .00925 .00768 .00722 -.00009 -.00064  .00035
MgM2 .377827 .48401  .36401 .562 .01025 .01181 .01036 .00859 -.00119 -.00210  .00007
FeM2 .377827 .48401  .36401 .438 .01025 .01181 .01036 .00859 -.00119 -.00210  .00007
SiA  .271647 .34083  .05069      .00705 .00744 .00693 .00676 -.00053  .00018 -.00012
SiB  .473781 .33678  .79655      .00699 .00737 .00650 .00709  .00030 -.00033  .00017
O1A   .18360 .33901  .03946      .00863  .0078  .0093  .0088  -.0001   .0002   .0001
O1B   .56236 .33842  .79762      .00870  .0078  .0094  .0089   .0002  -.0006   .0002
O2A   .31119 .50097  .04912      .01006  .0113  .0083  .0106  -.0026  -.0013   .0008
O2B   .43343 .48423  .69310      .01035  .0118  .0094  .0097   .0024  -.0002   .0016
O3A   .30274 .22748 -.17301      .01083  .0102  .0133  .0090   .0005   .0000  -.0037
O3B   .44741 .19873  .59763      .01065  .0104  .0116  .0099  -.0012   .0001  -.0028
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Enstatite
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Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020254
18.2810 8.8732 5.2070 90 90 90 Pbca
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1  .37558 .65444 .87128 .028 .00773  .0087  .0076  .0069  .00003 -.00068  .00035
MgM1  .37558 .65444 .87128 .972 .00773  .0087  .0076  .0069  .00003 -.00068  .00035
MgM2 .378022 .48350 .36510 .445 .01024 .01155 .01054 .00861 -.00112 -.00226  .00008
FeM2 .378022 .48350 .36510 .555 .01024 .01155 .01054 .00861 -.00112 -.00226  .00008
SiA   .27155 .34090 .05139      .00701 .00711 .00712 .00680 -.00052  .00019 -.00017
SiB   .47390 .33682 .79702      .00690 .00692 .00688  .0069  .00037 -.00037  .00016
O1A   .18346 .33834  .0416       .0084  .0071  .0093  .0088  -.0002   .0002  -.0004
O1B   .56252 .33758  .7984       .0084  .0073  .0089  .0090   .0004  -.0004  -.0001
O2A   .31115 .50120  .0503       .0099  .0104  .0094  .0099  -.0023  -.0011   .0006
O2B   .43370 .48491  .6947       .0104  .0115  .0102  .0095   .0023  -.0007   .0016
O3A   .30263 .22825 -.1734       .0110  .0099  .0136  .0095   .0005   .0002  -.0037
O3B   .44724 .19936  .5976       .0107  .0097  .0119  .0105  -.0011  -.0002  -.0031
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Enstatite
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Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020255
18.3022 8.8816 5.2082 90 90 90 Pbca
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1  .37572 .65432 .87017 .154 .00847  .0099  .0077  .0078  .00003 -.00070  .00040
MgM1  .37572 .65432 .87017 .846 .00847  .0099  .0077  .0078  .00003 -.00070  .00040
MgM2 .377812 .48408 .36400 .561 .01080  .0127  .0106 .00916 -.00117 -.00225  .00010
FeM2 .377812 .48408 .36400 .439 .01080  .0127  .0106 .00916 -.00117 -.00225  .00010
SiA   .27167 .34083 .05061      .00745 .00808  .0071  .0072 -.00058  .00022 -.00014
SiB   .47379 .33676 .79653      .00733  .0078  .0065  .0076  .00023 -.00039  .00021
O1A   .18356 .33892  .0396       .0091  .0087  .0094  .0093  -.0001   .0001   .0002
O1B   .56237 .33840  .7975       .0091  .0087  .0091  .0095   .0004  -.0008   .0001
O2A   .31121 .50097  .0492       .0107  .0121  .0087  .0112  -.0026  -.0011   .0007
O2B   .43345 .48420  .6932       .0109  .0122  .0104  .0101   .0022  -.0002   .0019
O3A   .30276 .22755 -.1731       .0114  .0113  .0133  .0097   .0005   .0003  -.0035
O3B   .44738 .19880  .5977       .0113  .0108  .0122  .0108  -.0013   .0000  -.0030
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Enstatite
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Hawthorne F C, Ito J
Download cm/vol15/CM15_321.pdf
The Canadian Mineralogist 15 (1977) 321-338
Synthesis and crystal-structure refinement of transition-metal
orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene
_database_code_amcsd 0005139
18.216 8.813 5.179 90 90 90 Pbca
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
SiA  .27171 .34150  .0503 .00037 .00176 .00252 -.00005 -.00002 -.00005
SiB  .47356 .33730  .7982 .00037 .00173 .00261  .00005 -.00004  .00004
MgM1 .37580 .65386  .8660 .00052 .00209 .00264 -.00002 -.00013  .00007
MgM2 .37682  .4870  .3587 .00065 .00255 .00424 -.00007 -.00045  .00032
O1A  .18332  .3399  .0346 .00036 .00256 .00327 -.00001  .00002 -.00008
O2A   .3110  .5024  .0434 .00059 .00210 .00503 -.00030 -.00014  .00020
O3A   .3032  .2226 -.1678 .00053 .00265 .00324  .00005 -.00010 -.00089
O1B   .5624  .3402  .7997 .00042 .00228 .00388 -.00008  .00000  .00010
O2B   .4328  .4832  .6890 .00056 .00224 .00400  .00023 -.00016  .00011
O3B   .4477  .1950  .6040 .00052 .00237 .00313 -.00003  .00017 -.00092
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Enstatite
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Hawthorne F C, Ito J
Download cm/vol15/CM15_321.pdf
The Canadian Mineralogist 15 (1977) 321-338
Synthesis and crystal-structure refinement of transition-metal
orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene
_database_code_amcsd 0005140
18.246 8.839 5.196 90 90 90 Pbca
atom      x     y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
SiA  .27165 .3411  .0516      .00039 .00150 .00368 -.00006  .00009 -.00009
SiB  .47381 .3371  .7960      .00039 .00147 .00361  .00004 -.00022 -.00007
MgM1 .37562 .6541  .8704 .904 .00037 .00127 .00350 -.00004 -.00015  .00008
CoM1 .37562 .6541  .8704 .065 .00037 .00127 .00350 -.00004 -.00015  .00008
MnM1 .37562 .6541  .8704 .031 .00037 .00127 .00350 -.00004 -.00015  .00008
MgM2 .37712 .4851  .3636 .658 .00057 .00238 .00409 -.00010 -.00042  .00016
CoM2 .37712 .4851  .3636 .198 .00057 .00238 .00409 -.00010 -.00042  .00016
MnM2 .37712 .4851  .3636 .144 .00057 .00238 .00409 -.00010 -.00042  .00016
O1A   .1837 .3390  .0396      .00029 .00268 .00517  .00001  .00007 -.00013
O2A   .3106 .5019  .0468      .00067 .00196 .00539 -.00032 -.00008  .00042
O3A   .3033 .2261 -.1714      .00054 .00280 .00509  .00003  .00000 -.00156
O1B   .5623 .3394  .7975      .00047 .00200 .00498 -.00017  .00012  .00060
O2B   .4337 .4846  .6935      .00067 .00208 .00441  .00032 -.00010  .00061
O3B   .4474 .1985  .5980      .00043 .00276 .00467 -.00007  .00007 -.00141
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Enstatite
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Tribaudino M, Nestola F, Meneghini C
Download cm/vol43/CM43_1411.pdf
The Canadian Mineralogist 43 (2005) 1411-1421
Rietveld refinement of clinopyroxenes with intermediate
Ca-content along the join diopside-enstatite
Locality: synthetic
Sample: Di40En60
_database_code_amcsd 0006054
9.7042 8.8805 5.2423 90 108.084 90 P2_1/c
atom     x     y     z occ Biso
Ca2  .2546 .0244 .2309 .40  .66
Mg2  .2546 .0244 .2309 .60  .66
Mg1  .2515 .6543 .2411      .62
SiA  .0411 .3449 .2730      .58
O1A  .8655 .3360 .1522      .51
O2A  .1091 .5109 .3087      .80
O3A  .0933 .2675 .5723     1.31
SiB  .5522 .8429 .2484      .67
O1B  .3771 .8372 .1442      .79
O2B  .6314 .9937 .3826     1.32
O3B  .6009 .7116 .4836     1.12
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Enstatite
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Tribaudino M, Nestola F, Meneghini C
Download cm/vol43/CM43_1411.pdf
The Canadian Mineralogist 43 (2005) 1411-1421
Rietveld refinement of clinopyroxenes with intermediate
Ca-content along the join diopside-enstatite
Locality: synthetic
Sample: Di20En80
_database_code_amcsd 0006055
9.6655 8.8534 5.2138 90 108.349 90 P2_1/c
atom     x     y     z occ Biso
Ca2  .2555 .0186 .2279 .20  .34
Mg2  .2555 .0186 .2279 .80  .34
Mg1  .2517 .6536 .2275      .62
SiA  .0420 .3418 .2842      .58
O1A  .8664 .3392 .1764      .51
O2A  .1159 .5042 .3169      .80
O3A  .1038 .2746 .5941     1.31
SiB  .5498 .8392 .2301      .67
O1B  .3738 .8356 .1305      .79
O2B  .6332 .9847 .3803     1.32
O3B  .6067 .7064 .4677     1.12
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Enstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di15En85 (non-split model)
Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003
_database_code_amcsd 0006929
9.654 8.845 5.203 90 108.37 90 P2_1/c
atom      x      y      z occ Biso
CaM2 .25555 .01762  .2216 .15  .94
MgM2 .25555 .01762  .2216 .85  .94
MgM1 .25081 .65383  .2228     .490
SiTA .04241 .34125 .28688     .392
SiTB .55077 .83805 .23261     .410
O1A   .8665  .3397  .1791      .46
O2A   .1212  .5012  .3221      .57
O3A   .1053  .2751  .6023      .74
O1B   .3745  .8396  .1273      .51
O2B   .6319  .9851  .3825      .83
O3B   .6047  .7006  .4646      .73
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Enstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di15En85 (split model)
_database_code_amcsd 0006930
9.654 8.845 5.203 90 108.37 90 P2_1/c
atom       x      y      z occ Biso
CaM2   .2636  .0395   .238 .15  .65
MgM2   .2535  .0122  .2176 .85  .56
MgM1  .25085 .65377  .2229     .485
SiTA  .04243 .34123 .28681     .390
SiTB  .55078 .83804 .23258     .403
O1A    .8665  .3395  .1792      .46
O2A    .1211  .5012  .3221      .57
O3A*   .1060  .2772  .6070 .85  .52
O3A**  .0996   .258   .566 .15  .52
O1B    .3746  .8395  .1275      .52
O2B*   .6337  .9836  .3878 .85  .50
O2B**  .6121 1.0003   .328 .15  .50
O3B*   .6044  .6977  .4612 .85  .53
O3B**  .6075   .778  -.010 .15  .53
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Enstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di23En77 (non-split model)
_database_code_amcsd 0006931
9.690 8.862 5.229 90 108.31 90 P2_1/c
atom     x     y     z occ Biso
CaM2 .2546 .0222 .2285 .23 1.36
MgM2 .2546 .0222 .2285 .77 1.36
MgM1 .2505 .6539 .2284      .62
SiTA .0415 .3417 .2782      .58
SiTB .5484 .8391 .2348      .67
O1A  .8665 .3396 .1719      .51
O2A  .1183 .5019 .3215      .80
O3A  .1049 .2679 .5874     1.31
O1B  .3727 .8384 .1313      .79
O2B  .6286 .9883 .3714     1.32
O3B  .6048 .7092 .4760     1.12
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Enstatite
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Tribaudino M, Nestola F
 
European Journal of Mineralogy 14 (2002) 549-555
Average and local structure in P2_1/c clinopyroxenes along the
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: Di23En77 (split model)
_database_code_amcsd 0006932
9.690 8.862 5.229 90 108.31 90 P2_1/c
atom      x     y     z occ Biso
CaM2  .2613 .0452  .246 .23   .8
MgM2  .2518 .0127 .2210 .77  .65
MgM1  .2504 .6538 .2283      .63
SiTA  .0415 .3416 .2782      .58
SiTB  .5484 .8391 .2348      .61
O1A   .8665 .3395 .1719      .50
O2A   .1183 .5021 .3220      .81
O3A*  .1052 .2735  .596 .85  .69
O3A**  .103  .244  .548 .15  .69
O1B   .3727 .8384 .1312      .78
O2B*  .6319 .9853  .384 .85  .75
O2B**  .614 1.002  .318 .15  .75
O3B*  .6022 .7042  .468 .85  .64
O3B**  .615  .771  .009 .15  .64
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Enstatite
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Nestola F, Tribaudino M
 
European Journal of Mineralogy 15 (2003) 365-371
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: D4En96
_database_code_amcsd 0006978
18.262 8.826 5.192 90 90 90 Pbca
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM2 .37699 .48508  .3610 .04  .64  .0083  .0111  .0052 -.0019 -.0014 -.0010
MgM2 .37699 .48508  .3610 .96  .64  .0083  .0111  .0052 -.0019 -.0014 -.0010
MgM1 .37567 .65400  .8670      .46  .0065  .0070  .0043  .0000 -.0004  .0002
SiTA .27150 .34160 .04923      .36  .0044  .0056  .0036 -.0004  .0004 -.0001
SiTB .47405 .33774 .79770      .37  .0045  .0058  .0036  .0002 -.0002  .0003
O1A  .18335  .3400  .0353      .42  .0042  .0076  .0042  .0001  .0003  .0006
O2A  .31062  .5024  .0437      .55  .0078  .0070  .0059 -.0013 -.0002  .0009
O3A  .30274  .2240  .8283      .57  .0062  .0098  .0055 -.0000  .0001 -.0029
O1B  .56272  .3402  .7996      .47  .0040  .0085  .0054 -.0008 -.0011  .0002
O2B  .43341  .4842  .6915      .62  .0080  .0087  .0070  .0026  .0007  .0021
O3B  .44770  .1973  .6008      .58  .0064  .0104  .0051 -.0011  .0004 -.0028
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Enstatite
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Nestola F, Tribaudino M
 
European Journal of Mineralogy 15 (2003) 365-371
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
Sample: D7E93
_database_code_amcsd 0006979
18.268 8.836 5.196 90 90 90 Pbca
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2 .37693 .48464 .36224 .07 .837  .0098  .0140  .0081  -.0025 -.0015  -.0014
MgM2 .37693 .48464 .36224 .93 .837  .0098  .0140  .0081  -.0025 -.0015  -.0014
MgM1 .37567 .65402 .86809     .579  .0075  .0079  .0066  -.0000 -.0006   .0004
SiTA .27143 .34156 .04927     .476  .0058  .0062  .0061 -.00044 .00063 -.00026
SiTB .47421 .33784 .79691     .475  .0057  .0064  .0059  .00047 .00005  .00038
O1A  .18336 .33982  .0362     .564  .0054  .0081  .0080   .0001  .0005  -.0003
O2A  .31067 .50190  .0439     .654  .0089  .0069  .0090  -.0019 -.0003   .0012
O3A  .30277 .22461  .8285     .726  .0076  .0113  .0087   .0002  .0010  -.0038
O1B  .56275 .34024  .7990     .582  .0057  .0086  .0077  -.0001 -.0002   .0002
O2B  .43344 .48436  .6920     .803  .0112  .0089  .0104   .0034  .0013   .0021
O3B  .44770 .19840  .5986     .704  .0081  .0112  .0074  -.0008  .0000  -.0027
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Enstatite
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Ohashi Y
 
Physics and Chemistry of Minerals 10 (1984) 217-229
Polysynthetically-twinned structures of enstatite and wollastonite
Sample: OREN
_database_code_amcsd 0007358
18.225 8.8128 5.180 90 90 90 Pbca
atom      x      y     z Biso
MgM1 .37584 .65383 .8660  .37
MgM2 .37677 .48687 .3589  .57
SiA  .27173 .34155 .0505  .28
SiB  .47353 .33739 .7980  .27
O1A  .18343  .3398 .0347  .38
O2A  .31106  .5023 .0433  .47
O3A  .30322  .2227 .8311  .46
O1B  .56243  .3402 .8001  .39
O2B  .43258  .4827 .6895  .46
O3B  .44742  .1952 .6039  .41
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Enstatite
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Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 296 K
_database_code_amcsd 0007919
18.251 8.814 5.181 90 90 90 Pbca
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3758 .6537  .8660 .423  .0004  .0015  .0031  .0000 -.0002  .0002
Mg2  .3768 .4869  .3590 .605  .0005  .0022  .0045 -.0001 -.0003  .0002
SiA  .2717 .3415  .0505 .330  .0003  .0012  .0025  .0000  .0000 -.0002
SiB  .4735 .3374  .7983 .320  .0002  .0011  .0027  .0000 -.0001  .0001
O1A  .1834 .3400  .0356 .463  .0003  .0019  .0039  .0000  .0001 -.0001
O1B  .5625 .3403  .8002 .459  .0003  .0019  .0043  .0001  .0000  .0001
O2A  .3108 .5027  .0432 .542  .0005  .0014  .0052 -.0002  .0000 -.0001
O2B  .4327 .4833  .6896 .528  .0005  .0016  .0035  .0002 -.0001  .0005
O3A  .3032 .2226 -.1679 .534  .0004  .0024  .0032  .0000  .0000 -.0010
O3B  .4475 .1955  .6040 .512  .0004  .0019  .0037 -.0001  .0001 -.0006
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Enstatite
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Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 900 K
_database_code_amcsd 0007920
18.341 8.889 5.219 90 90 90 Pbca
atom     x     y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3754 .6521  .8731 1.257  .0010  .0043  .0095 -.0001 -.0004  .0000
Mg2  .3766 .4872  .3664 1.756  .0015  .0059  .0128 -.0003  .0011  .0009
SiA  .2719 .3409  .0552  .879  .0006  .0031  .0073 -.0002  .0000 -.0003
SiB  .4743 .3377  .7936  .878  .0006  .0032  .0075  .0001 -.0002  .0000
O1A  .1839 .3395  .0427 1.208  .0007  .0049  .0108  .0001  .0001  .0005
O1B  .5629 .3411  .7955 1.197  .0006  .0053  .0105  .0001  .0000  .0002
O2A  .3111 .5001  .0527 1.495  .0012  .0040  .0143 -.0007 -.0001  .0012
O2B  .4333 .4838  .6939 1.523  .0013  .0046  .0130  .0007 -.0003  .0015
O3A  .3028 .2258 -.1680 1.476  .0010  .0060  .0106  .0002 -.0001 -.0030
O3B  .4485 .1998  .5956 1.426  .0011  .0055  .0099 -.0003 -.0001 -.0029
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Enstatite
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Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 1200 K
_database_code_amcsd 0007921
18.413 8.929 5.246 90 90 90 Pbca
atom     x     y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3753 .6514  .8780 1.758  .0014  .0061  .0129  .0000 -.0006  .0001
Mg2  .3762 .4876  .3725 2.518  .0022  .0080  .0183 -.0005 -.0022  .0018
SiA  .2720 .3403  .0590 1.226  .0009  .0043  .0097 -.0003  .0000 -.0003
SiB  .4749 .3380  .7895 1.214  .0008  .0044  .0102  .0002 -.0003  .0002
O1A  .1844 .3396  .0484 1.734  .0011  .0065  .0144  .0001  .0000  .0004
O1B  .5629 .3420  .7915 1.702  .0010  .0069  .0145  .0001 -.0003  .0002
O2A  .3109 .4992  .0572 2.054  .0016  .0056  .0197 -.0011 -.0006  .0013
O2B  .4337 .4847  .6974  2.05  .0017  .0064  .0170  .0010 -.0003  .0024
O3A  .3025 .2273 -.1660 2.071  .0012  .0095  .0143  .0002 -.0003 -.0046
O3B  .4490 .2037  .5875 2.101  .0014  .0082  .0159 -.0003 -.0001 -.0043
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Enstatite
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Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 1360 K
_database_code_amcsd 0007922
18.456 8.960 5.270 90 90 90 Pbca
atom     x     y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3753 .6510  .8841 2.629  .0025  .0073  .0191  .0003 -.0007  .0001
Mg2  .3765 .4878  .3791 3.736  .0040  .0097  .0240 -.0010 -.0013  .0021
SiA  .2710 .3397  .0642 2.318  .0026  .0058  .0143  .0002 -.0001 -.0016
SiB  .4761 .3385  .7842 2.095  .0022  .0053  .0143  .0004 -.0005  .0014
O1A  .1832 .3401  .0564 2.296  .0008  .0100  .0229  .0004 -.0020  .0024
O1B  .5638 .3428  .7859 1.878  .0004  .0087  .0213 -.0001 -.0006 -.0017
O2A  .3116 .4980  .0626 3.066  .0032  .0064  .0249 -.0015 -.0009  .0009
O2B  .4356 .4858  .7005 2.772  .0024  .0082  .0213  .0007 -.0007  .0004
O3A  .3020 .2280 -.1629 2.321  .0003  .0141  .0181  .0006  .0010 -.0030
O3B  .4499 .2099  .5761 3.172  .0019  .0134  .0241 -.0004  .0003 -.0099
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 0.00 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008009
18.2974 8.9040 5.2092 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3759 .6547 .8729  .59  .77
FeM1 .3759 .6547 .8729  .41  .77
MgM2 .3782 .4852 .3652  .59  .77
FeM2 .3782 .4852 .3652  .41  .77
SiTA .2713 .3413 .0536       .77
SiTB .4744 .3363 .7946       .83
O1a   .182 .3385  .039       .71
O2a  .3088 .5002  .050       .75
O3a  .3012 .2280  .821      1.17
O1b   .563 .3382  .798      1.48
O2b  .4327 .4839  .692       .77
O3b  .4486 .1995  .596       .90
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.54 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008010
18.2351 8.8492 5.1839 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3763 .6547 .8682 .59  .61
FeM1 .3763 .6547 .8682 .41  .61
MgM2 .3780 .4840 .3606 .59  .61
FeM2 .3780 .4840 .3606 .41  .61
SiTA .2706 .3419 .0489      .58
SiTB .4736 .3362 .7969      .63
O1a   .181  .341  .034      .78
O2a   .311  .500  .047      .50
O3a   .303 .2296  .825      .45
O1b   .562  .337  .805      .99
O2b   .434  .487  .694      .59
O3b   .448 .1968  .600      .64
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 2.50 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008011
18.197 8.820 5.171 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6568 .8663 .59  .36
FeM1 .3758 .6568 .8663 .41  .36
MgM2 .3783 .4826 .3597 .59  .33
FeM2 .3783 .4826 .3597 .41  .33
SiTA .2711 .3418 .0458      .26
SiTB .4732 .3353 .7980      .24
O1a  .1832 .3393  .034      .36
O2a  .3103 .5023  .047      .29
O3a  .3037 .2282  .823      .07
O1b  .5617 .3364  .801      .45
O2b  .4335 .4828  .691      .40
O3b  .4471 .1962  .603      .26
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 3.17 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008012
18.174 8.7953 5.1608 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6553 .8650 .59  .54
FeM1 .3758 .6553 .8650 .41  .54
MgM2 .3776 .4819 .3569 .59  .57
FeM2 .3776 .4819 .3569 .41  .57
SiTA .2698 .3428 .0455      .46
SiTB .4732 .3361 .7980      .44
O1a   .181  .340  .027      .51
O2a   .312 .5034  .044      .37
O3a  .3023  .230  .821      .76
O1b   .564  .341  .821      .76
O2b  .4337 .4862  .692      .27
O3b  .4479  .196  .603      .18
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.14 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008013
18.1418 8.7682 5.1495 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6561 .8647 .59  .69
FeM1 .3758 .6561 .8647 .41  .69
MgM2 .3784 .4827 .3570 .59  .50
FeM2 .3784 .4827 .3570 .41  .50
SiTA .2719 .3438 .0430      .31
SiTB .4729 .3359 .8000      .40
O1a  .1827  .338  .028      .28
O2a  .3108  .507  .042      .39
O3a  .3031  .232  .820      .43
O1b  .5605  .339  .798      .54
O2b  .4334  .487  .688      .18
O3b  .4454  .194  .607      .24
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.76 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008014
18.124 8.754 5.144 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3761 .6570 .8626 .59  .47
FeM1 .3761 .6570 .8626 .41  .47
MgM2 .3782 .4813 .3570 .59  .55
FeM2 .3782 .4813 .3570 .41  .55
SiTA .2710 .3419 .0424      .49
SiTB .4731 .3363 .8000      .32
O1a  .1830  .340  .031      .27
O2a  .3085  .509  .038      .69
O3a  .3023  .230  .813      .02
O1b  .5619  .337  .801      .68
O2b  .4330  .486  .688      .02
O3b  .4458  .195  .605      .01
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 5.77 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008015
18.0912 8.724 5.1315 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3760 .6566 .8625 .59  .07
FeM1 .3760 .6566 .8625 .41  .07
MgM2 .3784 .4809 .3350 .59  .05
FeM2 .3784 .4809 .3350 .41  .05
SiTA .2710 .3432 .0407      .01
SiTB .4729 .3373 .7996      .01
O1a  .1826  .340  .030      .04
O2a  .3097  .507  .040      .24
O3a  .3038  .229  .817      .03
O1b  .5611  .337  .804      .18
O2b  .4334  .481  .689      .04
O3b  .4455  .190  .605      .00
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 6.59 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008016
18.0665 8.706 5.1236 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3763 .6576 .8612 .59  .06
FeM1 .3763 .6576 .8612 .41  .06
MgM2 .3783 .4802 .3544 .59  .06
FeM2 .3783 .4802 .3544 .41  .06
SiTA .2712 .3413 .0393      .01
SiTB .4729 .3377 .8010      .02
O1a  .1827  .340  .028      .05
O2a  .3091  .506  .040      .10
O3a  .3043  .230  .815      .07
O1b  .5614  .339  .806      .06
O2b  .4337  .485  .687      .07
O3b  .4454  .194  .608      .24
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 7.50 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008017
18.035 8.682 5.1138 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3764 .6576 .8595 .59  .23
FeM1 .3764 .6576 .8595 .41  .23
MgM2 .3783 .4797 .3534 .59  .21
FeM2 .3783 .4797 .3534 .41  .21
SiTA .2706 .3434 .0381      .24
SiTB .4732 .3374 .8018      .28
O1a  .1834  .338  .027      .50
O2a  .3087  .508  .038      .47
O3a  .3042 .2273  .815      .25
O1b  .5596  .339  .803      .33
O2b  .4342  .485  .688      .30
O3b  .4450 .1921  .611      .35
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 0.00 GPa, natural orthopyroxene
_database_code_amcsd 0008018
18.231 8.8095 5.1873 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3757 .6529 .8652       .08
MgM2 .3785 .4842 .3582  .66  .08
FeM2 .3785 .4842 .3582  .24  .08
CaM2 .3785 .4842 .3582 .012  .08
AlM2 .3785 .4842 .3582  .08  .08
SiTA .2701 .3424 .0491  .97  .00
AlTA .2701 .3424 .0491  .03  .00
SiTB .4740 .3377 .8013  .97  .16
AlTB .4740 .3377 .8013  .03  .16
O1a   .182  .340  .031       .20
O2a   .312  .502  .050       .20
O3a   .303 .2254  .826       .20
O1b   .565  .338  .806       .20
O2b   .435 .4856  .691       .20
O3b   .446 .1943  .605       .20
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.04 GPa, natural orthopyroxene
_database_code_amcsd 0008019
18.189 8.7765 5.1723 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3754 .6542 .8623       .06
MgM2 .3780 .4844 .3572  .66  .07
FeM2 .3780 .4844 .3572  .24  .07
CaM2 .3780 .4844 .3572 .012  .07
AlM2 .3780 .4844 .3572  .08  .07
SiTA .2703 .3429 .0479  .97  .01
AlTA .2703 .3429 .0479  .03  .01
SiTB .4752 .3369 .8022  .97  .01
AlTB .4752 .3369 .8022  .03  .01
O1a   .181 .3399  .032       .07
O2a   .308 .5036  .046       .07
O3a   .303  .225  .825       .07
O1b   .568  .338  .804       .07
O2b   .432  .483  .689       .07
O3b   .445  .191  .606       .07
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.90 GPa, natural orthopyroxene
_database_code_amcsd 0008020
18.160 8.7503 5.1606 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .376 .6541  .863       .10
MgM2 .3792 .4830 .3546  .66  .10
FeM2 .3792 .4830 .3546  .24  .10
CaM2 .3792 .4830 .3546 .012  .10
AlM2 .3792 .4830 .3546  .08  .10
SiTA  .268 .3424 .0458  .97  .05
AlTA  .268 .3424 .0458  .03  .05
SiTB .4752 .3371 .8025  .97  .05
AlTB .4752 .3371 .8025  .03  .05
O1a   .179  .343  .024       .27
O2a   .309  .506  .042       .27
O3a   .301  .223  .819       .27
O1b   .566  .339  .814       .27
O2b   .429  .485  .692       .27
O3b   .445  .192  .609       .27
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 3.00 GPa, natural orthopyroxene
_database_code_amcsd 0008021
18.115 8.7184 5.1472 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .374 .6541  .861       .23
MgM2 .3783 .4821 .3523  .66  .23
FeM2 .3783 .4821 .3523  .24  .23
CaM2 .3783 .4821 .3523 .012  .23
AlM2 .3783 .4821 .3523  .08  .23
SiTA  .269 .3433 .0435  .97  .09
AlTA  .269 .3433 .0435  .03  .09
SiTB .4750 .3379 .8031  .97  .09
AlTB .4750 .3379 .8031  .03  .09
O1a   .177  .339  .029       .25
O2a   .311  .506  .036       .25
O3a   .303  .228  .821       .25
O1b   .567  .341  .809       .25
O2b   .432  .488  .691       .25
O3b   .451  .191  .611       .25
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.03 GPa, natural orthopyroxene
_database_code_amcsd 0008022
18.077 8.6907 5.1349 90 90 90 Pbca
atom    x     y     z  occ Biso
MgM1 .377 .6550  .860       .16
MgM2 .378 .4818 .3525  .66  .16
FeM2 .378 .4818 .3525  .24  .16
CaM2 .378 .4818 .3525 .012  .16
AlM2 .378 .4818 .3525  .08  .16
SiTA .271 .3431  .040  .97  .04
AlTA .271 .3431  .040  .03  .04
SiTB .473 .3385  .804  .97  .04
AlTB .473 .3385  .804  .03  .04
O1a  .181  .338  .031       .27
O2a  .310  .508  .039       .27
O3a  .305  .227  .819       .27
O1b  .562  .336  .809       .27
O2b  .433  .486  .691       .27
O3b  .444  .192  .609       .27
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.93 GPa, natural orthopyroxene
_database_code_amcsd 0008023
18.051 8.6683 5.1244 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .378 .6558  .858       .01
MgM2 .3762 .4815 .3522  .66  .03
FeM2 .3762 .4815 .3522  .24  .03
CaM2 .3762 .4815 .3522 .012  .03
AlM2 .3762 .4815 .3522  .08  .03
SiTA  .270 .3441  .040  .97  .11
AlTA  .270 .3441  .040  .03  .11
SiTB  .472 .3389 .8033  .97  .11
AlTB  .472 .3389 .8033  .03  .11
O1a   .179  .339  .021       .27
O2a   .304  .509  .040       .27
O3a   .302  .228  .819       .27
O1b   .562  .337  .811       .27
O2b   .430  .487  .690       .27
O3b   .448  .191  .613       .27
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 6.01 GPa, natural orthopyroxene
_database_code_amcsd 0008024
18.00 8.642 5.115 90 90 90 Pbca
atom     x     y    z  occ Biso
MgM1  .376 .6583 .856       .16
MgM2 .3771 .4804 .351  .66  .16
FeM2 .3771 .4804 .351  .24  .16
CaM2 .3771 .4804 .351 .012  .16
AlM2 .3771 .4804 .351  .08  .16
SiTA  .268 .3423 .040  .97  .22
AlTA  .268 .3423 .040  .03  .22
SiTB  .475 .3365 .804  .97  .22
AlTB  .475 .3365 .804  .03  .22
O1a   .178  .342 .027       .47
O2a   .306  .509 .034       .47
O3a   .304  .225 .818       .47
O1b   .567  .337 .812       .47
O2b   .432  .487 .689       .47
O3b   .446  .190 .611       .47
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Camara F, Iezzi G, Tiepolo M, Oberti R
 
Physics and Chemistry of Minerals 33 (2006) 475-483
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene
Sample: LMFPX3
_database_code_amcsd 0009041
18.2113 8.8172 5.2050 90 90 90 Pbca
atom       x     y      z occ Biso
MgM1   .3754 .6510  .8745 .74  .63
Fe3+M1 .3754 .6510  .8745 .20  .63
Fe2+M1 .3754 .6510  .8745 .06  .63
MgM2   .3775 .4846  .3665 .59  .69
Fe2+M2 .3775 .4846  .3665 .21  .69
LiM2   .3775 .4846  .3665 .20  .69
Sia    .2722 .3406  .0540      .44
Sib    .4740 .3371  .7942      .45
O1a    .1836 .3375  .0442      .60
O1b    .5630 .3375  .7960      .60
O2a    .3104 .5032  .0502      .72
O2b    .4342 .4871  .6973      .74
O3a    .3033 .2281 -.1714      .70
O3b    .4474 .2017  .5920      .73
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Camara F, Iezzi G, Tiepolo M, Oberti R
 
Physics and Chemistry of Minerals 33 (2006) 475-483
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene
Sample: LMFPX4
_database_code_amcsd 0009042
18.2369 8.8246 5.2076 90 90 90 Pbca
atom       x     y      z occ Biso
MgM1   .3754 .6514  .8734 .74  .61
Fe3+M1 .3754 .6514  .8734 .20  .61
Fe2+M1 .3754 .6514  .8734 .06  .61
MgM2   .3775 .4848  .3655 .59  .67
Fe2+M2 .3775 .4848  .3655 .21  .67
LiM2   .3775 .4848  .3655 .20  .67
Sia    .2721 .3408  .0535      .41
Sib    .4739 .3370  .7949      .41
O1a    .1836 .3378  .0428      .55
O1b    .5630 .3380  .7966      .60
O2a    .3104 .5029  .0492      .70
O2b    .4340 .4864  .6964      .70
O3a    .3033 .2275 -.1714      .63
O3b    .4475 .2006  .5939      .65
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Camara F, Iezzi G, Tiepolo M, Oberti R
 
Physics and Chemistry of Minerals 33 (2006) 475-483
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene
Sample: LMFPX5
_database_code_amcsd 0009043
18.2162 8.8194 5.2054 90 90 90 Pbca
atom       x     y      z occ Biso
MgM1   .3754 .6513  .8740 .74  .66
Fe3+M1 .3754 .6513  .8740 .20  .66
Fe2+M1 .3754 .6513  .8740 .06  .66
MgM2   .3775 .4848  .3657 .59  .73
Fe2+M2 .3775 .4848  .3657 .21  .73
LiM2   .3775 .4848  .3657 .20  .73
Sia    .2721 .3408  .0537      .45
Sib    .4740 .3371  .7943      .46
O1a    .1835 .3378  .0434      .61
O1b    .5630 .3377  .7962      .63
O2a    .3104 .5030  .0500      .71
O2b    .4341 .4867  .6969      .78
O3a    .3032 .2280 -.1712      .66
O3b    .4475 .2014  .5930      .74
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 20 C
_database_code_amcsd 0009057
18.2429 8.8171 5.1894 90 90 90 Pbca
atom     x     y      z  occ   Uiso
MgM1 .3780 .6514  .8714 .967 .00695
FeM1 .3780 .6514  .8714 .023 .00695
MgM2 .3754 .4879  .3508 .853 .01089
FeM2 .3754 .4879  .3508 .127 .01089
SiA  .2700 .3468  .0527      .00153
SiB  .4724 .3370  .7975  .97 .00153
AlB  .4724 .3370  .7975  .03 .00153
O1A  .1840 .3305  .0362      .00218
O1B  .5618 .3462  .7963      .00218
O2A  .3092 .5042  .0396      .00218
O2B  .4318 .4895  .6888      .00218
O3A  .3036 .2281 -.1686      .00218
O3B  .4478 .1967  .6015      .00218
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1200 C
_database_code_amcsd 0009058
18.4588 8.9638 5.2848 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3814 .6504  .8953 .919 .04519
FeM1  .3814 .6504  .8953 .071 .04519
MgM2  .3723 .4848  .3715 .901 .05034
FeM2  .3723 .4848  .3715 .079 .05034
SiA   .2710 .3464  .0655      .01735
SiB   .4757 .3423  .7714  .97 .01735
AlB   .4757 .3423  .7714  .03 .01735
O1A   .1854 .3383  .0582      .01959
O1B   .5632 .3427  .7823      .01959
O2A   .3113 .5029  .0474      .01959
O2B   .4324 .4964  .7068      .01959
O3A   .3027 .2368 -.1691      .01959
O3B   .4503 .2093  .5739      .01959
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1175 C
_database_code_amcsd 0009059
18.4517 8.9612 5.2797 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3814 .6514  .8937 .928 .04322
FeM1  .3814 .6514  .8937 .062 .04322
MgM2  .3729 .4850  .3692 .892 .04855
FeM2  .3729 .4850  .3692 .088 .04855
SiA   .2712 .3464  .0647      .01682
SiB   .4756 .3417  .7733  .97 .01682
AlB   .4756 .3417  .7733  .03 .01682
O1A   .1856 .3390  .0562      .01900
O1B   .5629 .3435  .7843      .01900
O2A   .3119 .5031  .0477      .01900
O2B   .4321 .4956  .7053      .01900
O3A   .3028 .2363 -.1702      .01900
O3B   .4503 .2082  .5758      .01900
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1150 C
_database_code_amcsd 0009060
18.4450 8.9589 5.2749 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3812 .6516  .8913 .927 .04139
FeM1  .3812 .6516  .8913 .063 .04139
MgM2  .3731 .4852  .3673 .893 .04650
FeM2  .3731 .4852  .3673 .087 .04650
SiA   .2710 .3473  .0621      .01572
SiB   .4753 .3398  .7761  .97 .01572
AlB   .4753 .3398  .7761  .03 .01572
O1A   .1852 .3395  .0535      .01780
O1B   .5626 .3430  .7859      .01780
O2A   .3115 .5039  .0470      .01780
O2B   .4321 .4944  .7045      .01780
O3A   .3024 .2353 -.1706      .01780
O3B   .4499 .2071  .5776      .01780
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1125 C
_database_code_amcsd 0009061
18.4378 8.9555 5.2711 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3811 .6518  .8904 .925 .04085
FeM1  .3811 .6518  .8904 .065 .04085
MgM2  .3732 .4852  .3656 .895 .04562
FeM2  .3732 .4852  .3656 .085 .04562
SiA   .2712 .3470  .0615      .01538
SiB   .4753 .3398  .7762  .97 .01538
AlB   .4753 .3398  .7762  .03 .01538
O1A   .1854 .3386  .0530      .01742
O1B   .5626 .3437  .7859      .01742
O2A   .3114 .5040  .0467      .01742
O2B   .4321 .4944  .7037      .01742
O3A   .3024 .2351 -.1703      .01742
O3B   .4499 .2067  .5783      .01742
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1100 C
_database_code_amcsd 0009062
18.4314 8.9520 5.2674 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3809 .6518  .8889 .925 .04020
FeM1  .3809 .6518  .8889 .065 .04020
MgM2  .3736 .4855  .3648 .895 .04412
FeM2  .3736 .4855  .3648 .085 .04412
SiA   .2712 .3475  .0612      .01488
SiB   .4751 .3392  .7769  .97 .01488
AlB   .4751 .3392  .7769  .03 .01488
O1A   .1853 .3386  .0516      .01687
O1B   .5627 .3429  .7863      .01687
O2A   .3112 .5045  .0467      .01687
O2B   .4321 .4934  .7026      .01687
O3A   .3026 .2348 -.1702      .01687
O3B   .4499 .2061  .5792      .01687
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1075 C
_database_code_amcsd 0009063
18.4244 8.9481 5.2639 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3807 .6519  .8876 .924 .03851
FeM1  .3807 .6519  .8876 .066 .03851
MgM2  .3740 .4848  .3645 .896 .04247
FeM2  .3740 .4848  .3645 .084 .04247
SiA   .2712 .3473  .0599      .01460
SiB   .4751 .3385  .7767  .97 .01460
AlB   .4751 .3385  .7767  .03 .01460
O1A   .1851 .3403  .0497      .01656
O1B   .5626 .3420  .7869      .01656
O2A   .3112 .5046  .0470      .01656
O2B   .4321 .4929  .7024      .01656
O3A   .3025 .2344 -.1702      .01656
O3B   .4499 .2054  .5800      .01656
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1050 C
_database_code_amcsd 0009064
18.4197 8.9449 5.2609 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3806 .6508  .8844 .924 .03678
FeM1  .3806 .6508  .8844 .066 .03678
MgM2  .3736 .4851  .3667 .896 .04140
FeM2  .3736 .4851  .3667 .084 .04140
SiA   .2707 .3470  .0616      .01394
SiB   .4746 .3391  .7768  .97 .01394
AlB   .4746 .3391  .7768  .03 .01394
O1A   .1847 .3419  .0484      .01583
O1B   .5623 .3399  .7884      .01583
O2A   .3105 .5052  .0453      .01583
O2B   .4316 .4926  .7020      .01583
O3A   .3024 .2343 -.1697      .01583
O3B   .4501 .2047  .5813      .01583
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1025 C
_database_code_amcsd 0009065
18.4125 8.9408 5.2577 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3806 .6516  .8829 .929 .03836
FeM1  .3806 .6516  .8829 .061 .03836
MgM2  .3738 .4853  .3643 .891 .04045
FeM2  .3738 .4853  .3643 .089 .04045
SiA   .2708 .3471  .0603      .01337
SiB   .4745 .3387  .7781  .97 .01337
AlB   .4745 .3387  .7781  .03 .01337
O1A   .1849 .3416  .0481      .01520
O1B   .5624 .3400  .7888      .01520
O2A   .3105 .5057  .0452      .01520
O2B   .4319 .4922  .7018      .01520
O3A   .3023 .2340 -.1701      .01520
O3B   .4498 .2041  .5818      .01520
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 1000 C
_database_code_amcsd 0009066
18.4047 8.9366 5.2543 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3801 .6525  .8848 .928 .03640
FeM1  .3801 .6525  .8848 .062 .03640
MgM2  .3748 .4852  .3611 .892 .03988
FeM2  .3748 .4852  .3611 .088 .03988
SiA   .2711 .3481  .0582      .01347
SiB   .4747 .3375  .7783  .97 .01347
AlB   .4747 .3375  .7783  .03 .01347
O1A   .1852 .3385  .0474      .01531
O1B   .5624 .3426  .7875      .01531
O2A   .3108 .5052  .0462      .01531
O2B   .4322 .4911  .7018      .01531
O3A   .3027 .2335 -.1701      .01531
O3B   .4496 .2037  .5820      .01531
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 975 C
_database_code_amcsd 0009067
18.3995 8.9329 5.2519 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3803 .6520  .8821 .927 .03589
FeM1  .3803 .6520  .8821 .063 .03589
MgM2  .3743 .4852  .3617 .893 .03947
FeM2  .3743 .4852  .3617 .087 .03947
SiA   .2707 .3472  .0590      .01273
SiB   .4744 .3376  .7791  .97 .01273
AlB   .4744 .3376  .7791  .03 .01273
O1A   .1849 .3408  .0471      .01450
O1B   .5622 .3409  .7890      .01450
O2A   .3104 .5058  .0446      .01450
O2B   .4320 .4916  .7012      .01450
O3A   .3022 .2333 -.1700      .01450
O3B   .4494 .2033  .5835      .01450
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G
 
Physics and Chemistry of Minerals 34 (2007) 185-200
High temperature structural and thermoelastic behaviour of mantle
orthopyroxene: an in situ neutron powder diffraction study
Sample: T = 150 C
_database_code_amcsd 0009068
18.2513 8.8274 5.1929 90 90 90 Pbca
atom      x     y      z  occ   Uiso
MgM1  .3793 .6526  .8682 .972 .00709
FeM1  .3793 .6526  .8682 .018 .00709
MgM2  .3745 .4876  .3531 .848 .00974
FeM2  .3745 .4876  .3531 .132 .00974
SiA   .2694 .3475  .0505      .00361
SiB   .4729 .3354  .7952  .97 .00361
AlB   .4729 .3354  .7952  .03 .00361
O1A   .1832 .3374  .0381      .00447
O1B   .5617 .3426  .7963      .00447
O2A   .3094 .5056  .0372      .00447
O2B   .4318 .4858  .6893      .00447
O3A   .3044 .2255 -.1702      .00447
O3B   .4474 .1976  .6020      .00447
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Enstatite
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Warren B, Modell D
 
Zeitschrift fur Kristallographie 75 (1930) 1-14
The structure of enstatite, MgSiO3
_database_code_amcsd 0018104
18.2 8.86 5.2 90 90 90 Pbca
atom   x    y   z occ
Mg1  .13  .33 .37  .7
Mg2  .13 -.04 .37  .7
Fe1  .13  .33 .37  .3
Fe2  .13 -.04 .37  .3
Si1  .03 -.35 .29
Si2  .22 -.15 .04
O1   .06  .14  .2
O2   .06   .5  .2
O3   .05 -.25 .05
O4   .19  .35 .06
O5   .19  .01 .05
O6    .2 -.25  .3
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Enstatite
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Morimoto N, Koto K
Download zk/vol129/ZK129_65.pdf
Zeitschrift fur Kristallographie 129 (1969) 65-83
The crystal structure of orthoenstatite
Locality: Bishopville meteorite
_database_code_amcsd 0010680
18.210 8.812 5.178 90 90 90 Pbca
atom     x     y      z Biso
Mg1  .3760 .6544  .8663  .69
Mg2  .3769 .4854  .3609  .77
SiA  .2716 .3411  .0494  .56
SiB  .4740 .3373  .7988  .64
O1A  .1832 .3386  .0349  .69
O2A  .3118 .5022  .0430  .97
O3A  .3036 .2252 -.1698 1.14
O1B  .5628 .3382  .8009  .67
O2B  .4337 .4841  .6880  .71
O3B  .4470 .1961  .6004  .97
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Enstatite
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Angel R J, Chopelas A, Ross N L
 
Nature 358 (1992) 322-324
Stability of high-density clinoenstatite at upper-mantle pressures
Sample: P = 7.93 GPa
_database_code_amcsd 0014680
9.201 8.621 4.908 90 101.50 90 C2/c
atom     x     y     z Biso
Si   .2988 .0915 .2112  .29
Mg1      0 .9057   .25  .37
Mg2      0 .2742   .25  .57
O1   .1215 .0914  .139   .4
O2    .380 .2376  .367   .4
O3    .357 .0613  .915   .3
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Enstatite
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Takane K
 
Proceedings of the Japan Academy 8 (1932) 308-311
Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands
_cod_database_code 1011018
_database_code_amcsd 0017925
18.15999 8.84 5.19 90 90 90 Pbca
atom    x     y    z  occ
Mg1  .125  .333 .375 .845
Fe1  .125  .333 .375 .155
Mg2  .125 -.042 .375 .845
Fe2  .125 -.042 .375 .155
Si1  .022 -.347 .292
Si2  .228 -.153 .042
O1   .061  .125 .208
O2   .061  .514 .208
O3   .042  -.25 .042
O4   .189  .378 .042
O5   .189     0 .042
O6   .208  -.25 .292
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