American Mineralogist Crystal Structure Database

25 matching records for this search.

Akermanite
Download hom/akermanite.pdf
Merlini M, Gemmi M, Hanfland M, Crichton W
Download am/vol94/AM94_704.pdf
American Mineralogist 94 (2009) 704-709
High-pressure behavior of akermanite and gehlenite and phase stability
of the normal structures in melelites
Note: P = 5 GPa
Locality: synthetic
_database_code_amcsd 0004933
7.740 7.740 4.932 90 90 90 P-42_1m
atom     x     y     z
Mg       0     0     0
Ca   .3343 .1657 .5065
Si   .1416 .3584  .937
O1       0    .5 -.195
O2   .1438 .3562  .260
O3   .0803 .1843  .782
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View JMOL 3-D Structure (permalink)
 
Akermanite
Download hom/akermanite.pdf
Merlini M, Gemmi M, Hanfland M, Crichton W
Download am/vol94/AM94_704.pdf
American Mineralogist 94 (2009) 704-709
High-pressure behavior of akermanite and gehlenite and phase stability
of the normal structures in melelites
Note: P = 15 GPa
Locality: synthetic
_database_code_amcsd 0004934
7.570 7.570 4.781 90 90 90 P-42_1m
atom     x     y     z
Mg       0     0     0
Ca   .3371 .1629 .5042
Si   .1430 .3570 .9392
O1       0    .5 -.198
O2   .1421 .3579  .268
O3   .0807 .1841  .774
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View JMOL 3-D Structure (permalink)
 
Akermanite
Download hom/akermanite.pdf
Merlini M, Gemmi M, Hanfland M, Crichton W
Download am/vol94/AM94_704.pdf
American Mineralogist 94 (2009) 704-709
High-pressure behavior of akermanite and gehlenite and phase stability
of the normal structures in melelites
Note: P = 15.7 GPa
Locality: synthetic
_database_code_amcsd 0004935
8.82 7.34 9.13 90 115.1 90 P2_1/n
atom     x     y     z
Mg   .8107 .0997 .0926
Si1  .8648 .4512 .2150
Si2  .9575 .7554 .0731
Ca1  .4593 .2794 .0294
Ca2  .3028 .5638 .2121
O1   .9975 .5618 .1593
O2   .8801 .5221 .3791
O3    .698 .4728  .041
O4   .0049 .8800 .2257
O5   .1263 .8208 .0662
O6   .9530 .2625 .2856
O7    .783 .7583 -.097
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Akermanite
Download hom/akermanite.pdf
Swainson I P, Dove M T, Schmahl W W, Putnis A
 
Physics and Chemistry of Minerals 19 (1992) 185-195
Neutron powder diffraction study of the akermanite-gehlenite
solid solution series
Sample: 50% Ak
_database_code_amcsd 0007696
7.7475 7.7475 5.0359 90 90 90 P-42_1m
atom     x     y     z  occ B(1,1) B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .3369 .1631 .5093      .01141 .01141 -.00088  .00399 -.00134 -.00134
MgT1     0     0     0  .46 .00420 .00420  .00177       0       0       0
AlT1     0     0     0  .54 .00420 .00420  .00177       0       0       0
AlT2 .1419 .3581 .9427 .225 .00537 .00537 -.00394 -.00037 -.00076 -.00076
SiT2 .1419 .3581 .9427  .76 .00537 .00537 -.00394 -.00037 -.00076 -.00076
O1      .5     0 .1782      .01082 .01082 -.00256 -.00612       0       0
O2   .1423 .3577 .2676      .01207 .01207 -.00285       0  .00442  .00442
O3   .0850 .1778 .7980      .01541 .00945  .00157 -.00212 -.00237 -.00153
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Akermanite
Download hom/akermanite.pdf
Swainson I P, Dove M T, Schmahl W W, Putnis A
 
Physics and Chemistry of Minerals 19 (1992) 185-195
Neutron powder diffraction study of the akermanite-gehlenite
solid solution series
Sample: 75% Ak
_database_code_amcsd 0007697
7.7853 7.7853 5.0211 90 90 90 P-42_1m
atom     x     y     z occ B(1,1) B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .3345 .1655 .5083     .00985 .00985  .00595  .00416 -.00153 -.00153
MgT1     0     0     0 .71 .00627 .00627  .00565       0       0       0
AlT1     0     0     0 .29 .00627 .00627  .00565       0       0       0
AlT2 .1407 .3593 .9370 .11 .00437 .00437  .00039 -.00070 -.00076 -.00076
SiT2 .1407 .3593 .9370 .87 .00437 .00437  .00039 -.00070 -.00076 -.00076
O1      .5     0 .1788     .00948 .00948 -.00138 -.00738       0       0
O2   .1417 .3583 .2621     .00961 .00961  .00297       0  .00479  .00479
O3   .0833 .1816 .7931     .01216 .00692  .00743 -.00255  .00358 -.00319
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Akermanite
Download hom/akermanite.pdf
Swainson I P, Dove M T, Schmahl W W, Putnis A
 
Physics and Chemistry of Minerals 19 (1992) 185-195
Neutron powder diffraction study of the akermanite-gehlenite
solid solution series
Sample: 100% Ak
_database_code_amcsd 0007698
7.8288 7.8288 5.0052 90 90 90 P-42_1m
atom     x     y     z occ B(1,1) B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .3320  .168 .5050     .01093 .01093  .00628  .00469 -.00357 -.00357
MgT1     0     0     0 .96 .00599 .00599  .01576       0       0       0
SiT2 .1395 .3605 .9334     .00195 .00195 -.00020  .00020 -.00095 -.00095
O1      .5     0 .1775     .01011 .01011  .00289 -.00868       0       0
O2   .1409 .3591 .2547     .01007 .01007  .00399       0  .00695  .00695
O3   .0816 .1870 .7879     .01627 .00444  .01257 -.00330  .00535 -.00274
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 0.0 GPa
_database_code_amcsd 0008030
7.8338 7.8338 5.0082 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3324 .1676 .5065 1.80  .0081  .0081  .0141  .0049  .0008  .0008
Mg       0     0     0 1.27  .0037  .0037  .0200      0      0      0
Si   .1396 .3604 .9358  .93  .0032  .0032  .0122  .0005  .0006  .0006
O1      .5     0 .1799  2.1  .0104  .0104  .0130 -.0072      0      0
O2   .1407 .3593 .2529  2.1  .0090  .0090  .0197  .0054 -.0011 -.0011
O3   .0798 .1862 .7856  2.3  .0152  .0057  .0164 -.0012  .0032 -.0014
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 0.80 GPa
_database_code_amcsd 0008031
7.8154 7.8154 4.9919 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3327 .1673 .5063 1.53  .0068  .0068  .0127  .0035  .0009  .0009
Mg       0     0     0  .95  .0027  .0027  .0157      0      0      0
Si   .1398 .3602 .9354  .79  .0032  .0032  .0082  .0005  .0005  .0005
O1      .5     0 .1827  1.8  .0096  .0096  .0060 -.0033      0      0
O2   .1403 .3597 .2561  1.8  .0081  .0081  .0136  .0022 -.0014 -.0014
O3   .0813 .1852 .7834  1.8  .0114  .0059  .0111 -.0021  .0037 -.0010
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 1.25 GPa
_database_code_amcsd 0008032
7.8071 7.8071 4.9821 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3329 .1671 .5065 1.34  .0057  .0057  .0127  .0025  .0005  .0005
Mg       0     0     0  .90  .0022  .0022  .0166      0      0      0
Si   .1398 .3602 .9354  .71  .0032  .0032  .0057  .0009  .0002  .0002
O1      .5     0 .1857  1.4  .0070  .0070  .0086 -.0034      0      0
O2   .1402 .3598 .2570  1.7  .0060  .0060  .0206  .0025 -.0018 -.0018
O3   .0814 .1849 .7828  1.6  .0090  .0038  .0164 -.0007  .0040 -.0002
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 1.37 GPa
_database_code_amcsd 0008033
7.8046 7.8046 4.9772 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3329 .1671 .5056 1.37  .0056  .0056  .0137  .0024  .0005  .0005
Mg       0     0     0  .98  .0027  .0027  .0165      0      0      0
Si   .1403 .3597 .9343  .75  .0034  .0034  .0062  .0006  .0003  .0003
O1      .5     0 .1839  1.5  .0062  .0062  .0156 -.0049      0      0
O2   .1404 .3596 .2551  1.7  .0069  .0069  .0184  .0020 -.0012 -.0012
O3   .0813 .1852 .7834  1.8  .0093  .0025  .0136 -.0006  .0030 -.0004
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 1.80 GPa
_database_code_amcsd 0008034
7.7937 7.7937 4.9696 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3331 .1669 .5053 1.26  .0055  .0055  .0110  .0021  .0010  .0010
Mg       0     0     0  .83  .0024  .0024  .0136      0      0      0
Si   .1404 .3596 .9346  .78  .0032  .0032  .0080 -.0001 -.0001 -.0001
O1      .5     0 .1838  1.5  .0072  .0072  .0092 -.0042      0      0
O2   .1404 .3596 .2558  1.5  .0059  .0059  .0152  .0021 -.0013 -.0013
O3   .0813 .1853 .7819  1.3  .0081  .0032  .0105 -.0012  .0024 -.0022
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Akermanite
Download hom/akermanite.pdf
Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 2.78 GPa
Note: O2-z changed to match reported bond lengths
_database_code_amcsd 0008035
7.7677 7.7677 4.9495 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3336 .1664 .5050 1.15  .0048  .0048  .0113  .0017  .0007  .0007
Mg       0     0     0  .81  .0020  .0020  .0147      0      0      0
Si   .1405 .3595 .9348  .66  .0029  .0029  .0061  .0003 -.0001 -.0001
O1      .5     0 .1837  1.4  .0077  .0077  .0050 -.0046      0      0
O2   .1399 .3601 .2584  1.5  .0058  .0058  .0168  .0005 -.0023 -.0023
O3   .0820 .1848 .7799  1.3  .0070  .0035  .0127 -.0008  .0027 -.0019
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Akermanite
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Yang H, Hazen R M, Downs R T, Finger L W
 
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 3.79 GPa
_database_code_amcsd 0008036
7.7494 7.7494 4.9328 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3340 .1660 .5050 1.04  .0042  .0042  .0112  .0016  .0006  .0006
Mg       0     0     0  .76  .0019  .0019  .0138      0      0      0
Si   .1406 .3594 .9354  .53  .0026  .0026  .0038  .0005 -.0002 -.0002
O1      .5     0 .1835  1.2  .0062  .0062  .0074 -.0029      0      0
O2   .1396 .3604 .2601  1.5  .0050  .0050  .0217  .0015 -.0017 -.0017
O3   .0822 .1839 .7783  1.1  .0062  .0022  .0134 -.0007  .0021 -.0016
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 297 K
Melilite group
_database_code_amcsd 0008517
7.8348 7.8348 5.0087 90 90 90 P-42_1m
atom      x     y     z Biso
Mg        0     0     0  .70
Ca   .33180 .1682 .5066 1.38
Si    .1397 .3603 .9350  .61
O1        0    .5  .820  2.1
O2    .1402 .3598 .2551 1.53
O3    .0825 .1870 .7883  1.9
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 348 K
Melilite group
_database_code_amcsd 0008518
7.8387 7.8387 5.0079 90 90 90 P-42_1m
atom      x      y     z Biso
Mg        0      0     0  .67
Ca   .33195 .16805 .5063 1.28
Si    .1398  .3602 .9345  .56
O1        0     .5  .820  1.8
O2    .1402  .3598 .2548 1.50
O3    .0825  .1866 .7876 1.63
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 359.4 K
Melilite group
_database_code_amcsd 0008519
7.8387 7.8387 5.0072 90 90 90 P-42_1m
atom      x      y     z Biso
Mg        0      0     0  .63
Ca   .33205 .16795 .5060 1.17
Si    .1399  .3601 .9338  .51
O1        0     .5  .818  1.5
O2    .1403  .3597 .2545 1.42
O3    .0827  .1864 .7871 1.41
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 359.7 K
Melilite group
_database_code_amcsd 0008520
7.8398 7.8398 5.0058 90 90 90 P-42_1m
atom      x      y     z Biso
Mg        0      0     0  .63
Ca   .33219 .16781 .5059 1.18
Si    .1398  .3602 .9338  .52
O1        0     .5  .819  1.5
O2    .1404  .3596 .2546 1.39
O3    .0826  .1863 .7871 1.42
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 413 K
Melilite group
_database_code_amcsd 0008521
7.8436 7.8436 5.0070 90 90 90 P-42_1m
atom      x     y     z Biso
Mg        0     0     0  .72
Ca   .33220 .1678 .5057 1.27
Si    .1399 .3601 .9337  .59
O1        0    .5  .820  1.5
O2    .1405 .3595 .2544 1.47
O3    .0820 .1867 .7860 1.46
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 463 K
Melilite group
_database_code_amcsd 0008522
7.8470 7.8470 5.0097 90 90 90 P-42_1m
atom     x     y     z Biso
Mg       0     0     0  .75
Ca   .3320  .168 .5058 1.34
Si   .1398 .3602 .9337  .62
O1       0    .5  .819  1.6
O2   .1403 .3597 .2551  1.6
O3   .0829 .1864 .7874 1.51
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Akermanite
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N
 
Physics and Chemistry of Minerals 28 (2001) 150-166
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
in incommensurate and normal phases and observation of diffuse streaks at high temperature
Sample: T = 513 K
Melilite group
_database_code_amcsd 0008523
7.8509 7.8509 5.0127 90 90 90 P-42_1m
atom      x      y     z Biso
Mg        0      0     0  .84
Ca   .33205 .16795 .5058 1.48
Si    .1398  .3602 .9338  .70
O1        0     .5  .820  1.7
O2    .1404  .3596 .2541 1.75
O3    .0821  .1871 .7872 1.63
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Akermanite
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Warren B
 
Zeitschrift fur Kristallographie 74 (1930) 131-138
The structure of melitite (Ca,Na)2(Mg,Al)(Si,Al)2O7
_cod_database_code 1010215
_database_code_amcsd 0017151
7.73 7.73 5.01 90 90 90 P-42_1m
atom   x   y    z
Ca   .33 .17 -.49
Si   .14 .36 -.05
Mg     0   0    0
O1    .5   0  .19
O2   .14 .36  .26
O3   .08 .18 -.19
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Akermanite
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Mokeeva V, Makarov E
 
Geokhimiya 10 (1979) 1541-1544
Isomorph in melilites: refining of crystal structure
of akermanite and intermediate melilite
Locality: Capo di Bove, Italy
_database_code_amcsd 0017811
7.760 7.760 5.029 90 90 90 P-42_1m
atom     x     y     z occ Biso
Ca   .3358 .1642 .5091 .75  1.2
Na   .3358 .1642 .5091 .25  1.2
MgT1     0     0     0 .39  .68
AlT1     0     0     0 .41  .68
FeT1     0     0     0 .16  .68
SiT2 .1406 .3594 .9416      .62
O1      .5     0 .1775     1.25
O2   .1414 .3586 .2604     1.37
O3   .0833 .1833 .7985     1.42
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Akermanite
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Mokeeva V, Makarov E
 
Geokhimiya 10 (1979) 1541-1544
Isomorph in melilites: refining of crystal structure
of akermanite and intermediate melilite
Locality: Capo di Bove, Italy
_database_code_amcsd 0017812
7.738 7.738 5.045 90 90 90 P-42_1m
atom     x     y     z occ  Biso
Ca   .3369 .1631 .5112 .98  1.27
Na   .3369 .1631 .5112 .02  1.27
MgT1     0     0     0 .24   .86
AlT1     0     0     0 .04   .86
FeT1     0     0     0 .12   .86
SiT2 .1433 .3567 .9538 .65   .77
AlT2 .1433 .3567 .9538 .31   .77
O1      .5     0 .1798      1.33
O2   .1409 .3591 .2730      1.28
O3   .0851 .1748 .8017      1.38
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Akermanite
Download hom/akermanite.pdf
Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N
Download mj/vol20/MJ20_47.pdf
Mineralogical Journal 20 (1998) 47-58
On variety of the Ca coordination in the incommensurate structure of
synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7
Note: Sample is synthetic, this is the structure obtained from a standard refinement
_database_code_amcsd 0014431
7.8679 7.8679 5.0144 90 90 90 P-42_1m
atom     x     y     z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Ca   .3307 .1693 .5061      1.914 .00980 .00980  .0088  .0065  .0008  -.0008
Mg       0     0     0 .554  1.00 .00404 .00404  .0099      0      0       0
Fe       0     0     0 .446  1.00 .00404 .00404  .0099      0      0       0
Si   .1384 .3616 .9383       0.88 .00395 .00395  .0067  .0009 .00095 -.00095
O1       0    .5  .825       3.51  .0202  .0202   .005   .016      0       0
O2   .1390 .3610 .2570       2.25  .0125  .0125  .0055   .008 .00025 -.00025
O3   .0795 .1898 .7891       2.97  .0243  .0058  .0143 -.0055   .009  -.0025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Akermanite
Download hom/akermanite.pdf
Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N
Download mj/vol20/MJ20_47.pdf
Mineralogical Journal 20 (1998) 47-58
On variety of the Ca coordination in the incommensurate structure of
synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7
Note: Sample is synthetic, this is the structure obtained by refining the incommensurate
structure
_database_code_amcsd 0014432
7.8679 7.8679 5.0144 90 90 90 P-42_1m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3307 .1693 .5061      .0064  .0064  .0070  .0033  .0008 -.0008
Mg       0     0     0 .554 .0031  .0031  .0095      0      0      0
Fe       0     0     0 .446 .0031  .0031  .0095      0      0      0
Si   .1384 .3616 .9383      .0027  .0027  .0049  .0007  .0002 -.0002
O1       0    .5  .825      .0133  .0133  .0050  .0104      0      0
O2   .1390 .3610 .2570      .0098  .0098  .0041  .0053 -.0005  .0005
O3   .0795 .1898 .7891      .0122  .0038  .0099 -.0029  .0033 -.0008
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View JMOL 3-D Structure (permalink)
 
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