|
Monohydrocalcite |
 |
Swainson I P |
| |
American Mineralogist 93 (2008) 1014-1018 |
|
The structure of monohydrocalcite and the phase composition of the |
|
beachrock deposits of Lake Butler and Lake Fellmongery, South Australia |
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Locality: Lakes Butler and Fellmongery, Robe, South Australia |
|
_database_code_amcsd 0004611 |
|
10.5547 10.5547 7.5644 90 90 120 P3_1 |
|
atom x y z Uiso |
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Ca1 .1811 .0958 .33333 .0113 |
|
Ca2 .8506 .4257 .3402 .0113 |
|
Ca3 .5174 .7551 .3571 .0113 |
|
C1 .1003 .1835 .969 .0097 |
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C2 .7463 .5162 .0491 .0097 |
|
C3 .4177 .8485 .0608 .0097 |
|
O1 .202 .245 .086 .0123 |
|
O2 .068 .0573 .905 .0123 |
|
O3 .031 .2485 .915 .0123 |
|
O4 .8848 .589 .083 .0123 |
|
O5 .6639 .3924 .127 .0123 |
|
O6 .690 .567 -.063 .0123 |
|
O7 .5586 .917 .076 .0123 |
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O8 .3386 .7306 .151 .0123 |
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O9 .3560 .8980 .956 .0123 |
|
Ow1 .401 .195 .841 .0092 |
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Ow2 .069 .542 .849 .0103 |
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Ow3 .730 .858 .837 .0103 |
|
H1 .350 .225 .922 .032 |
|
H2 .327 .130 .760 .032 |
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H3 .004 .464 .771 .032 |
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H4 .009 .578 .899 .032 |
|
H5 .663 .793 .750 .032 |
|
H6 .672 .885 .909 .032 |
|
|
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|
| |
|
Muscovite |
|
Liang J, Hawthorne F C, Swainson I P |
 |
The Canadian Mineralogist 36 (1998) 1017-1027 |
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Triclinic muscovite: X-ray diffraction, neutron diffraction and |
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photo-acoustic FTIR spectroscopy |
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Sample: room temperature |
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_database_code_amcsd 0005549 |
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5.1918 9.0153 20.0457 90 95.735 90 C2/c |
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atom x y z occ |
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Al .2501 .0838 .0001 .98 |
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Fe .2501 .0838 .0001 .01 |
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Mn .2501 .0838 .0001 .01 |
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SiT1 .4650 .9291 .1356 .77 |
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AlT1 .4650 .9291 .1356 .23 |
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SiT2 .4514 .2581 .1356 .77 |
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AlT2 .4514 .2581 .1356 .23 |
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K 0 .0978 .25 .89 |
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Na 0 .0978 .25 .10 |
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Rb 0 .0978 .25 .01 |
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H1 .3656 .6560 .0522 |
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H2 .3883 .6380 .0720 |
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O1 .4172 .0929 .1682 |
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O2 .2505 .8106 .1577 |
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O3 .2504 .3702 .1686 |
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O4 .4609 .9428 .0534 |
|
O5 .3859 .2514 .0534 |
|
Oh .4566 .5628 .0502 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Muscovite |
|
Liang J, Hawthorne F C, Swainson I P |
|
The Canadian Mineralogist 36 (1998) 1017-1027 |
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Triclinic muscovite: X-ray diffraction, neutron diffraction and |
|
photo-acoustic FTIR spectroscopy |
|
Sample: T = 12 K |
|
_database_code_amcsd 0005550 |
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5.1628 8.962 19.977 90 95.738 90 C2/c |
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atom x y z occ |
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Al .264 .082 .001 .98 |
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Fe .264 .082 .001 .01 |
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Mn .264 .082 .001 .01 |
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SiT1 .464 .930 .137 .77 |
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AlT1 .464 .930 .137 .23 |
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SiT2 .449 .261 .134 .77 |
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AlT2 .449 .261 .134 .23 |
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K 0 .092 .25 .89 |
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Na 0 .092 .25 .10 |
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Rb 0 .092 .25 .01 |
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H1 .392 .668 .052 |
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H2 .402 .632 .088 |
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O1 .406 .091 .167 |
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O2 .253 .801 .157 |
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O3 .247 .368 .167 |
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O4 .457 .949 .052 |
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O5 .382 .253 .054 |
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Oh .460 .560 .050 |
|
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| Download AMC data (View Text File)
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|
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Melanterite |
|
Anderson J L, Peterson R C, Swainson I P |
| |
The Canadian Mineralogist 45 (2007) 457-469 |
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The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O |
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Locality: synthetic |
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_database_code_amcsd 0006145 |
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14.0774 6.5039 11.0506 90 105.604 90 P2_1/c |
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atom x y z occ Uiso |
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Fe1 0 0 0 .006 |
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Fe2 .5 .5 0 .005 |
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S .2294 .475 .176 .007 |
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O1 .2076 .472 .038 .034 |
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O2 .1415 .537 .215 .015 |
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O3 .3109 .618 .229 .016 |
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O4 .2544 .266 .224 .026 |
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Ow1 .116 .388 .432 .053 |
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Ow2 .106 .954 .182 .034 |
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Ow3 .032 .787 .432 .030 |
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Ow4 .480 .454 .178 .036 |
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Ow5 .433 .283 .442 .038 |
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Ow6 .355 .855 .439 .030 |
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Ow7 .363 .002 .108 .037 |
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D11 .148 .262 .459 .94 .039 |
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H11 .148 .262 .459 .06 .039 |
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D12 .120 .428 .352 .94 .050 |
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H12 .120 .428 .352 .06 .050 |
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D22 .117 .816 .206 .94 .041 |
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H22 .117 .816 .206 .06 .041 |
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D24 .156 .050 .208 .94 .044 |
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H24 .156 .050 .208 .06 .044 |
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D31 .086 .874 .406 .94 .017 |
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H31 .086 .874 .406 .06 .017 |
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D32 .981 .882 .382 .94 .038 |
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H32 .981 .882 .382 .06 .038 |
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D43 .425 .520 .202 .94 .033 |
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H43 .425 .520 .202 .06 .033 |
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D47 .531 .464 .253 .94 .051 |
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H47 .531 .464 .253 .06 .051 |
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D54 .377 .286 .368 .94 .040 |
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H54 .377 .286 .368 .06 .040 |
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D57 .414 .309 .509 .94 .005 |
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H57 .414 .309 .509 .06 .005 |
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D6l .300 .919 .403 .94 .033 |
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H6l .300 .919 .403 .06 .033 |
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D63 .334 .774 .368 .94 .050 |
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H63 .334 .774 .368 .06 .050 |
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D74 .322 .080 .149 .94 .042 |
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H74 .322 .080 .149 .06 .042 |
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D76 .335 .884 .093 .94 .096 |
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H76 .335 .884 .093 .06 .096 |
|
|
| Download AMC data (View Text File)
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|
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|
Gehlenite |
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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: O% Ak |
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_database_code_amcsd 0007694 |
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7.6850 7.6850 5.0636 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3389 .1611 .5104 .0192 .0192 .0059 .0065 -.0013 -.0013 |
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AlT1 0 0 0 .0068 .0068 .0076 0 0 0 |
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AlT2 .1434 .3556 .9540 .265 .0050 .0050 .0020 -.0008 .0007 .0007 |
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SiT2 .1434 .3556 .9540 .2375 .0050 .0050 .0020 -.0008 .0007 .0007 |
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O1 .5 0 .1765 .0122 .0122 .0042 -.0032 0 0 |
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O2 .1427 .3573 .2835 .0136 .0136 .0067 .0000 .0026 .0026 |
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O3 .0876 .1678 .8078 .0156 .0087 .0077 -.0027 .0037 -.0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Gehlenite |
|
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: 25% Ak |
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_database_code_amcsd 0007695 |
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7.7115 7.7115 5.0498 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3377 .1623 .5100 .0193 .0193 .0071 .0094 0 0 |
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MgT1 0 0 0 .21 .0086 .0086 .0064 0 0 0 |
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AlT1 0 0 0 .79 .0086 .0086 .0064 0 0 0 |
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AlT2 .1421 .3579 .9503 .375 .0037 .0037 .0033 -.0007 .0013 .0013 |
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SiT2 .1421 .3579 .9503 .62 .0037 .0037 .0033 -.0007 .0013 .0013 |
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O1 .5 0 .1793 .0138 .0134 .0049 -.0096 0 0 |
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O2 .1430 .357 .2756 .0136 .0079 .0036 .0036 |
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O3 .0861 .1717 .8030 .0170 .0086 .0094 -.0035 .0028 -.0024 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Akermanite |
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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 |
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7.7475 7.7475 5.0359 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3369 .1631 .5093 .0274 .0274 -.0009 .0096 -.0021 -.0021 |
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MgT1 0 0 0 .46 .0101 .0101 .0018 0 0 0 |
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AlT1 0 0 0 .54 .0101 .0101 .0018 0 0 0 |
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AlT2 .1419 .3581 .9427 .225 .0129 .0129 -.0040 -.0009 -.0012 -.0012 |
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SiT2 .1419 .3581 .9427 .76 .0129 .0129 -.0040 -.0009 -.0012 -.0012 |
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O1 .5 0 .1782 .0260 .0260 -.0026 -.0147 0 0 |
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O2 .1423 .3577 .2676 .0290 -.0029 .0069 .0069 |
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O3 .0850 .1778 .7980 .0370 .0227 .0016 -.0051 -.0037 -.0024 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 |
|
_database_code_amcsd 0007697 |
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7.7853 7.7853 5.0211 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3345 .1655 .5083 .0239 .0239 .0060 .0101 -.0024 -.0024 |
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MgT1 0 0 0 .71 .0152 .0152 .0057 0 0 0 |
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AlT1 0 0 0 .29 .0152 .0152 .0057 0 0 0 |
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AlT2 .1407 .3593 .9370 .11 .0106 .0106 .0004 -.0017 -.0012 -.0012 |
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SiT2 .1407 .3593 .9370 .87 .0106 .0106 .0004 -.0017 -.0012 -.0012 |
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O1 .5 0 .1788 .0230 .0230 -.0014 -.0179 0 0 |
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O2 .1417 .3583 .2621 .0233 .0030 .0075 .0075 |
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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 |
|
_database_code_amcsd 0007698 |
|
7.8288 7.8288 5.0052 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3320 .168 .5050 .0268 .0268 .0063 .0115 -.0056 -.0056 |
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MgT1 0 0 0 .96 .0147 .0147 .0158 0 0 0 |
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SiT2 .1395 .3605 .9334 .0048 .0048 -.0002 .0005 -.0015 -.0015 |
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O1 .5 0 .1775 .0248 .0248 .0029 -.0213 0 0 |
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O2 .1409 .3591 .2547 .0247 .0040 .0109 .0109 |
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O3 .0816 .1870 .7879 .0399 .0109 .0126 -.0081 .0084 -.0043 |
|
|
| Download AMC data (View Text File)
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|
| |
|
MgGa2O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM808, quenched from T = 1402 C |
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Locality: synthetic |
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_database_code_amcsd 0008399 |
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8.2891 8.2891 8.2891 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Biso |
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MgT .125 .125 .125 .12 .41 |
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GaT .125 .125 .125 .88 .41 |
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GaM .5 .5 .5 .56 .27 |
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MgM .5 .5 .5 .44 .27 |
|
O .2567 .2567 .2567 .50 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg1.1Ga1.8Ge.1O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM801, quenched from T = 1402 C |
|
Locality: synthetic |
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_database_code_amcsd 0008400 |
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8.2984 8.2984 8.2984 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Biso |
|
GaT .125 .125 .125 .64 .40 |
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GeT .125 .125 .125 .10 .40 |
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MgT .125 .125 .125 .26 .40 |
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GaM .5 .5 .5 .58 .32 |
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MgM .5 .5 .5 .42 .32 |
|
O .2571 .2571 .2571 .49 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg1.2Ga1.6Ge.2O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM802, quenched from T = 1401 C |
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Locality: synthetic |
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_database_code_amcsd 0008401 |
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8.3007 8.3007 8.3007 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
|
GaT .125 .125 .125 .44 .34 |
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GeT .125 .125 .125 .20 .34 |
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MgT .125 .125 .125 .36 .34 |
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GaM .5 .5 .5 .58 .36 |
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MgM .5 .5 .5 .42 .36 |
|
O .2567 .2567 .2567 .52 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg1.25Ga1.5Ge.25O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM813, quenched from T = 1400 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008402 |
|
8.3026 8.3026 8.3026 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
GaT .125 .125 .125 .37 .42 |
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GeT .125 .125 .125 .25 .42 |
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MgT .125 .125 .125 .38 .42 |
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GaM .5 .5 .5 .565 .34 |
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MgM .5 .5 .5 .435 .34 |
|
O .2570 .2570 .2570 .59 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg3Ga2GeO8 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM812, beta-Mg3Ga2GeO8 spinelloid, quenched from T = 1350 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008403 |
|
5.8236 11.8162 8.3304 90 90 90 Imma |
|
atom x y z occ Biso |
|
MgM1 0 0 0 .5 .28 |
|
GaM1 0 0 0 .5 .28 |
|
MgM2 0 .25 .9760 .96 .28 |
|
GaM2 0 .25 .9760 .04 .28 |
|
MgM3 .25 .1291 .25 .77 .28 |
|
GaM3 .25 .1291 .25 .23 .28 |
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GaT 0 .1162 .6186 .5 .30 |
|
GeT 0 .1162 .6186 .5 .30 |
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O1 0 .25 .2265 .46 |
|
O2 0 .25 .7349 .46 |
|
O3 0 .0059 .2491 .46 |
|
O4 .2423 .1227 .0027 .46 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by X-ray diffraction |
|
_database_code_amcsd 0008540 |
|
5.3607 5.4873 7.6662 90 90 90 Pbnm |
|
atom x y z Biso |
|
Na .9895 .0441 1/4 1.89 |
|
Mg 0 1/2 0 .89 |
|
F1 .0897 .4722 1/4 1.17 |
|
F2 .7028 .2964 .0476 1.20 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction |
|
_database_code_amcsd 0008541 |
|
5.365 5.492 7.674 90 90 90 Pbnm |
|
atom x y z Biso |
|
Na .9896 .0452 1/4 1.6 |
|
Mg 0 1/2 0 .42 |
|
F1 .0872 .4741 1/4 .80 |
|
F2 .7030 .2953 .0464 .92 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by X-ray diffraction, x = .18 |
|
_database_code_amcsd 0008542 |
|
5.4486 5.5101 7.7623 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Na .9911 .0244 1/4 .82 2.09 |
|
K .9911 .0244 1/4 .18 2.09 |
|
Mg 0 1/2 0 .94 |
|
F1 .0778 .4831 1/4 1.4 |
|
F2 .7084 .2876 .0290 1.62 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction, x = .5 |
|
One of two alternative models |
|
_database_code_amcsd 0008543 |
|
5.566 5.566 3.953 90 90 90 P4/mbm |
|
atom x y z occ Biso |
|
Na 0 1/2 1/2 .5 1.1 |
|
K 0 1/2 1/2 .5 1.1 |
|
Mg 0 0 0 -.5 |
|
F1 0 0 1/2 1.97 |
|
F2 .2596 .7596 0 1.96 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction, x = .5 |
|
One of two alternative models |
|
_database_code_amcsd 0008544 |
|
3.9354 3.9354 3.9354 90 90 90 Pm3m |
|
atom x y z occ Biso |
|
Na 1/2 1/2 1/2 .5 1.0 |
|
K 1/2 1/2 1/2 .5 1.0 |
|
Mg 0 0 0 -.6 |
|
F 1/2 0 0 2.05 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.44K.56MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .56 |
|
_database_code_amcsd 0008545 |
|
3.9494 3.9492 3.9492 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .44 |
|
K 1/2 1/2 1/2 .56 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.4K.6MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .60 |
|
_database_code_amcsd 0008546 |
|
3.9545 3.9545 3.9545 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .40 |
|
K 1/2 1/2 1/2 .60 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.33K.67MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .67 |
|
_database_code_amcsd 0008547 |
|
3.9622 3.9622 3.9622 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .33 |
|
K 1/2 1/2 1/2 .67 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.3K.7MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .70 |
|
_database_code_amcsd 0008548 |
|
3.9659 3.9659 3.9659 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .30 |
|
K 1/2 1/2 1/2 .70 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.22K.78MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .78 |
|
_database_code_amcsd 0008549 |
|
3.9742 3.9742 3.9742 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .22 |
|
K 1/2 1/2 1/2 .78 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.11K.89MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .89 |
|
_database_code_amcsd 0008550 |
|
3.9824 3.9824 3.9824 90 90 90 Pm3m |
|
atom x y z occ |
|
Na 1/2 1/2 1/2 .11 |
|
K 1/2 1/2 1/2 .89 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KMgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = 1.00 |
|
_database_code_amcsd 0008551 |
|
3.9897 3.9897 3.9897 90 90 90 Pm3m |
|
atom x y z |
|
K 1/2 1/2 1/2 |
|
Mg 0 0 0 |
|
F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Buddingtonite |
|
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
| |
Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
|
[N(D/H)4AlSi3O8] from neutron powder diffraction |
|
Sample: T = 11 K |
|
_database_code_amcsd 0008919 |
|
8.79182 13.11084 7.20473 90 116.097 90 C2/m |
|
atom x y z occ Uiso |
|
N .2903 0 .1424 .01452 |
|
D1 .4147 .0190 .2066 .5 .03999 |
|
D2 .2614 -.0311 .2518 .5 .03999 |
|
D3 .2659 -.0513 .0275 .5 .03999 |
|
D4 .2191 .0634 .0838 .5 .03999 |
|
Al1 .7070 .1179 .3447 .25 .00056 |
|
Si1 .7070 .1179 .3447 .75 .00056 |
|
Al2 .0167 .1881 .2347 .25 .00243 |
|
Si2 .0167 .1881 .2347 .75 .00243 |
|
O1 0 .1580 0 -.00506 |
|
O2 .6607 0 .2950 -.00506 |
|
O3 .8274 .1587 .2252 -.00506 |
|
O4 .0399 .3123 .2624 -.00506 |
|
O5 .1713 .1260 .4071 -.00506 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Buddingtonite |
|
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
| |
Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
|
[N(D/H)4AlSi3O8] from neutron powder diffraction |
|
Sample: T = 210 K |
|
_database_code_amcsd 0008920 |
|
8.81611 13.09609 7.20155 90 116.121 90 C2/m |
|
atom x y z occ Uiso |
|
N .2949 0 .1473 .02367 |
|
D1 .4155 .0198 .2159 .5 .07414 |
|
D2 .2629 -.0317 .2497 .5 .07414 |
|
D3 .2765 -.0495 .0354 .5 .07414 |
|
D4 .2247 .0614 .0879 .5 .07414 |
|
Al1 .7062 .1176 .3456 .25 -.00168 |
|
Si1 .7062 .1176 .3456 .75 -.00168 |
|
Al2 .0213 .1931 .2373 .25 .00965 |
|
Si2 .0213 .1931 .2373 .75 .00965 |
|
O1 0 .1584 0 -.00129 |
|
O2 .6625 0 .2928 -.00129 |
|
O3 .8267 .1583 .2245 -.00129 |
|
O4 .0419 .3120 .2631 -.00129 |
|
O5 .1695 .1264 .4086 -.00129 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Buddingtonite |
|
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
| |
Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
|
[N(D/H)4AlSi3O8] from neutron powder diffraction |
|
Sample: T = 280 K |
|
_database_code_amcsd 0008921 |
|
8.83157 13.08541 7.20024 90 116.147 90 C2/m |
|
atom x y z occ Uiso |
|
N .2955 0 .1486 .03027 |
|
D1 .4170 .0200 .2186 .5 .09924 |
|
D2 .2647 -.0360 .2492 .5 .09924 |
|
D3 .2762 -.0465 .0303 .5 .09924 |
|
D4 .2244 .0625 .0961 .5 .09924 |
|
Al1 .7065 .1192 .3474 .25 .01270 |
|
Si1 .7065 .1192 .3474 .75 .01270 |
|
Al2 .0222 .1936 .2365 .25 .01079 |
|
Si2 .0222 .1936 .2365 .75 .01079 |
|
O1 0 .1584 0 .00317 |
|
O2 .6652 0 .2898 .00317 |
|
O3 .8265 .1580 .2236 .00317 |
|
O4 .0418 .3123 .2631 .00317 |
|
O5 .1697 .1270 .4096 .00317 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 300 K |
|
_database_code_amcsd 0009113 |
|
5.3622 5.4885 7.6694 90 90 90 Pbnm |
|
atom x y z |
|
Na .9906 .0440 .25 |
|
Mg 0 .5 0 |
|
F1 .0863 .4727 .25 |
|
F2 .7030 .2959 .0470 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 275 K |
|
_database_code_amcsd 0009114 |
|
5.3580 5.4874 7.6642 90 90 90 Pbnm |
|
atom x y z |
|
Na .9912 .0448 .25 |
|
Mg 0 .5 0 |
|
F1 .0871 .4727 .25 |
|
F2 .7033 .2958 .0473 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 250 K |
|
_database_code_amcsd 0009115 |
|
5.3535 5.4858 7.6596 90 90 90 Pbnm |
|
atom x y z |
|
Na .9917 .0436 .25 |
|
Mg 0 .5 0 |
|
F1 .0888 .4720 .25 |
|
F2 .7025 .2955 .0469 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 225 K |
|
_database_code_amcsd 0009116 |
|
5.3494 5.4846 7.6557 90 90 90 Pbnm |
|
atom x y z |
|
Na .9885 .0448 .25 |
|
Mg 0 .5 0 |
|
F1 .0899 .4721 .25 |
|
F2 .7023 .2960 .0472 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 200 K |
|
_database_code_amcsd 0009117 |
|
5.3453 5.4835 7.6507 90 90 90 Pbnm |
|
atom x y z |
|
Na .9891 .0469 .25 |
|
Mg 0 .5 0 |
|
F1 .0902 .4718 .25 |
|
F2 .7019 .2956 .0475 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 175 K |
|
_database_code_amcsd 0009118 |
|
5.3416 5.4826 7.6475 90 90 90 Pbnm |
|
atom x y z |
|
Na .9878 .0469 .25 |
|
Mg 0 .5 0 |
|
F1 .0911 .4709 .25 |
|
F2 .7017 .2956 .0478 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 150 K |
|
_database_code_amcsd 0009119 |
|
5.3382 5.4818 7.6436 90 90 90 Pbnm |
|
atom x y z |
|
Na .9867 .0479 .25 |
|
Mg 0 .5 0 |
|
F1 .0911 .4712 .25 |
|
F2 .7016 .2956 .0482 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 125 K |
|
_database_code_amcsd 0009120 |
|
5.3353 5.4814 7.6405 90 90 90 Pbnm |
|
atom x y z |
|
Na .9874 .0480 .25 |
|
Mg 0 .5 0 |
|
F1 .0919 .4705 .25 |
|
F2 .7016 .2959 .0481 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 100 K |
|
_database_code_amcsd 0009121 |
|
5.3325 5.4813 7.6375 90 90 90 Pbnm |
|
atom x y z |
|
Na .9858 .0486 .25 |
|
Mg 0 .5 0 |
|
F1 .0923 .4698 .25 |
|
F2 .7010 .2956 .0483 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 75 K |
|
_database_code_amcsd 0009122 |
|
5.3308 5.4814 7.6352 90 90 90 Pbnm |
|
atom x y z |
|
Na .9867 .0484 .25 |
|
Mg 0 .5 0 |
|
F1 .0929 .4701 .25 |
|
F2 .7009 .2955 .0485 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 50 K |
|
_database_code_amcsd 0009123 |
|
5.3294 5.4813 7.6338 90 90 90 Pbnm |
|
atom x y z |
|
Na .9853 .0487 .25 |
|
Mg 0 .5 0 |
|
F1 .0929 .4701 .25 |
|
F2 .7003 .2954 .0484 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 25 K |
|
_database_code_amcsd 0009124 |
|
5.3292 5.4813 7.6336 90 90 90 Pbnm |
|
atom x y z |
|
Na .9857 .0483 .25 |
|
Mg 0 .5 0 |
|
F1 .0935 .4698 .25 |
|
F2 .7002 .2955 .0485 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Mitchell R H, Alexander M, Cranswick L M D, Swainson I P |
| |
Physics and Chemistry of Minerals 34 (2007) 705-712 |
|
A powder neutron diffraction study of the crystal structure of the |
|
fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K |
|
Locality: synthetic |
|
Sample: T = 3.6 K |
|
_database_code_amcsd 0009125 |
|
5.3287 5.4811 7.6335 90 90 90 Pbnm |
|
atom x y z |
|
Na .9861 .0488 .25 |
|
Mg 0 .5 0 |
|
F1 .0933 .4699 .25 |
|
F2 .7006 .2956 .0483 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
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