|
Akermanite |
 |
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 |
|
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 .0274 .0274 -.0009 .0096 -.0021 -.0021 |
|
MgT1 0 0 0 .46 .0101 .0101 .0018 0 0 0 |
|
AlT1 0 0 0 .54 .0101 .0101 .0018 0 0 0 |
|
AlT2 .1419 .3581 .9427 .225 .0129 .0129 -.0040 -.0009 -.0012 -.0012 |
|
SiT2 .1419 .3581 .9427 .76 .0129 .0129 -.0040 -.0009 -.0012 -.0012 |
|
O1 .5 0 .1782 .0260 .0260 -.0026 -.0147 0 0 |
|
O2 .1423 .3577 .2676 .0290 -.0029 .0069 .0069 |
|
O3 .0850 .1778 .7980 .0370 .0227 .0016 -.0051 -.0037 -.0024 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 .0239 .0239 .0060 .0101 -.0024 -.0024 |
|
MgT1 0 0 0 .71 .0152 .0152 .0057 0 0 0 |
|
AlT1 0 0 0 .29 .0152 .0152 .0057 0 0 0 |
|
AlT2 .1407 .3593 .9370 .11 .0106 .0106 .0004 -.0017 -.0012 -.0012 |
|
SiT2 .1407 .3593 .9370 .87 .0106 .0106 .0004 -.0017 -.0012 -.0012 |
|
O1 .5 0 .1788 .0230 .0230 -.0014 -.0179 0 0 |
|
O2 .1417 .3583 .2621 .0233 .0030 .0075 .0075 |
|
O3 .0833 .1816 .7931 .0295 .0168 .0075 -.0062 .0056 -.0050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 .0268 .0268 .0063 .0115 -.0056 -.0056 |
|
MgT1 0 0 0 .96 .0147 .0147 .0158 0 0 0 |
|
SiT2 .1395 .3605 .9334 .0048 .0048 -.0002 .0005 -.0015 -.0015 |
|
O1 .5 0 .1775 .0248 .0248 .0029 -.0213 0 0 |
|
O2 .1409 .3591 .2547 .0247 .0040 .0109 .0109 |
|
O3 .0816 .1870 .7879 .0399 .0109 .0126 -.0081 .0084 -.0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N |
 |
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 |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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