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Calcium catapleiite |
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Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
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Zubkova N V, Pekov I V |
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The Canadian Mineralogist 42 (2004) 1037-1045 |
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The crystal structure of calcium catapleiite |
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_database_code_amcsd 0005960 |
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7.378 12.779 10.096 90 90 90 Pbnn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
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Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
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Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
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Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
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Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
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O1 .4285 .4746 .7374 .0179 .0160 .0147 .0229 .0010 .0021 .0036 |
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O2 .25 .2949 .75 .0219 .0121 .0181 .0354 0 -.0017 0 |
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O3 .2803 .6148 .8839 .0228 .0259 .0266 .0159 -.0016 .0039 -.0106 |
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O4 .5602 .3030 .6250 .0292 .0393 .0317 .0165 -.0107 -.0098 -.0035 |
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O5 .5434 .3293 .8904 .0234 .0290 .0297 .0115 .0148 .0066 -.0039 |
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O6 .7630 .5827 .9143 .0382 .0300 .0390 .0455 .0069 -.0090 -.0024 |
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H1 .885 .555 .892 .09 |
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H2 .768 .581 .013 .04 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Bernstein B T, Smith J F |
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Acta Crystallographica 12 (1959) 419-420 |
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Coefficients of thermal expansion for face-centered cubic and |
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body-centered cubic calcium |
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Locality: synthetic |
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Sample: at T = 26 C |
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_database_code_amcsd 0009227 |
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5.5884 5.5884 5.5884 90 90 90 Fm3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Bernstein B T, Smith J F |
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Acta Crystallographica 12 (1959) 419-420 |
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Coefficients of thermal expansion for face-centered cubic and |
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body-centered cubic calcium |
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Locality: synthetic |
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Sample: at T = 467 C |
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_database_code_amcsd 0009228 |
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4.480 4.480 4.480 90 90 90 Im3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 7-83 |
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Second edition. Interscience Publishers, New York, New York |
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Cubic closest packed, ccp, structure |
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_database_code_amcsd 0011141 |
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5.576 5.576 5.576 90 90 90 Fm3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium-beta |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 7-83 |
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Second edition. Interscience Publishers, New York, New York |
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Sample at T = 450 C |
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Hexagonal closest packed, hcp, structure |
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_database_code_amcsd 0011166 |
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3.98 3.98 6.52 90 90 120 P6_3/mmc |
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atom x y z |
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Ca 1/3 2/3 .25 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium-gamma |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 7-83 |
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Second edition. Interscience Publishers, New York, New York |
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Sample at T = 773 K |
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Body centered cubic, bcc, structure |
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_database_code_amcsd 0011208 |
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4.38 4.38 4.38 90 90 90 Im3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Schottmiller J C, King A J, Kanda F A |
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Journal of Physical Chemistry 62 (1958) 1446-1449 |
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The calcium-strontium metal phase system |
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Locality: synthetic |
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Sample: at T = 415 C |
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_database_code_amcsd 0013146 |
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4.00 4.00 6.50 90 90 120 P6_3/mmc |
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atom x y z |
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Ca 1/3 2/3 .25 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Schottmiller J C, King A J, Kanda F A |
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Journal of Physical Chemistry 62 (1958) 1446-1449 |
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The calcium-strontium metal phase system |
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Locality: synthetic |
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Sample: at T = 25 C |
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_database_code_amcsd 0013147 |
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5.601 5.601 5.601 90 90 90 Fm3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Schottmiller J C, King A J, Kanda F A |
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Journal of Physical Chemistry 62 (1958) 1446-1449 |
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The calcium-strontium metal phase system |
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Locality: synthetic |
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Sample: at T = 615 C |
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_database_code_amcsd 0013148 |
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4.488 4.488 4.488 90 90 90 Im3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Olijnyk H, Holzapfel W B |
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Physics Letters 100A (1984) 191-194 |
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Phase transitions in alkaline earth metals under pressure |
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Locality: synthetic |
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Sample: P = 26.5 GPa |
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_database_code_amcsd 0015301 |
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3.559 3.559 3.559 90 90 90 Im3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Calcium |
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Olijnyk H, Holzapfel W B |
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Physics Letters 100A (1984) 191-194 |
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Phase transitions in alkaline earth metals under pressure |
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Locality: synthetic |
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Sample: P = 39 GPa |
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_database_code_amcsd 0015302 |
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2.615 2.615 2.615 90 90 90 Pm3m |
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atom x y z |
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Ca 0 0 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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