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Ponomarevite |
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de Boer J J, Bright D, Helle J N |
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Acta Crystallographica B28 (1972) 3436-3437 |
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The structure of the potassium salt of mu4-oxo-hexa-mu-chloro- |
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tetra[chlorocuprate(II)], K4Cu4OCl10 |
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Locality: synthetic |
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_database_code_amcsd 0009464 |
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14.70 14.88 8.95 90 104.74 90 C2/c |
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atom x y z Biso |
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K1 .1590 .1295 .3758 2.8 |
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K2 .1315 .4271 .1401 3.0 |
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Cu1 .0614 .2914 -.3680 1.82 |
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Cu2 .0921 .1413 -.1149 2.08 |
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O 0 .2168 -.25 1.3 |
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Cl1 .1956 .2042 -.2742 2.5 |
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Cl2 -.0521 .2249 -.5848 2.5 |
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Cl3 0 .4152 -.25 2.7 |
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Cl4 0 .0198 -.25 4.3 |
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Cl5 .1214 .3820 -.5196 2.5 |
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Cl6 .2061 .0598 .0423 2.3 |
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| Download AMC data (View Text File)
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Calaverite |
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Schutte W J, de Boer J L |
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Acta Crystallographica B44 (1988) 486-494 |
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Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 |
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Locality: Cripple Creek, Colorado |
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Sample: T = 298 K |
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_database_code_amcsd 0009826 |
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7.1947 4.4146 5.0703 90 90.038 90 C2/m |
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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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Au 0 0 0 .9 .0039 .0157 .0097 0 .0012 0 |
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Ag 0 0 0 .1 .0039 .0157 .0097 0 .0012 0 |
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Te .6894 0 .2888 .0044 .114 .0093 0 .0011 0 |
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| Download AMC data (View Text File)
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Calaverite |
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Schutte W J, de Boer J L |
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Acta Crystallographica B44 (1988) 486-494 |
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Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 |
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Locality: Cripple Creek, Colorado |
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Sample: T = 100 K |
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_database_code_amcsd 0009827 |
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7.182 4.402 5.056 90 89.99 90 C2/m |
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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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Au 0 0 0 .9 .0014 .0067 .0037 0 .0005 0 |
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Ag 0 0 0 .1 .0014 .0067 .0037 0 .0005 0 |
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Te .6890 0 .2888 .0016 .107 .0043 0 .0007 0 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 0.0001 GPa |
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_database_code_amcsd 0009860 |
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7.189 4.407 5.069 90 89.96 90 C2/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Au 0 0 0 .0152 .0205 .0139 0 .0020 0 |
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Te .6884 0 .2878 .0167 .0103 .0104 0 .0017 0 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = <0.5 GPa |
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_database_code_amcsd 0009861 |
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7.189 4.407 5.069 90 89.96 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0132 |
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Te .6879 0 .2889 .012 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 0.41 GPa |
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_database_code_amcsd 0009862 |
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7.171 4.385 5.064 90 90.04 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0146 |
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Te .6875 0 .2887 .011 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 0.63 GPa |
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_database_code_amcsd 0009863 |
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7.164 4.371 5.064 90 90.00 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0114 |
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Te .6871 0 .2897 .011 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 1.63 GPa |
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_database_code_amcsd 0009864 |
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7.129 4.314 5.036 90 90.15 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0132 |
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Te .6840 0 .2907 .0087 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 1.78 GPa |
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_database_code_amcsd 0009865 |
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7.11 4.29 5.05 90 90.3 90 C2/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Au 0 0 0 .0130 .0180 .0126 0 .0043 0 |
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Te .6832 0 .2903 .0161 .0156 .0105 0 .0051 0 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 1.89 GPa |
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_database_code_amcsd 0009866 |
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7.100 4.286 5.029 90 90.30 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0137 |
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Te .6826 0 .2915 .0109 |
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| Download AMC data (View Text File)
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 2.40 GPa |
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_database_code_amcsd 0009867 |
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7.100 4.221 5.029 90 90.40 90 C2/m |
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atom x y z Uiso |
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Au 0 0 0 .0111 |
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Te .6773 0 .2914 .019 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 3.72 GPa |
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_database_code_amcsd 0009868 |
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4.100 4.100 5.021 90 90 120 P-3m1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Au 0 0 0 .0129 .0129 .0125 .0064 0 0 |
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Te 2/3 1/3 .2919 .0144 .0144 .0128 .0072 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Calaverite |
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Reithmayer K, Steurer W, Schulz H, de Boer J L |
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Acta Crystallographica B49 (1993) 6-11 |
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High-pressure single-crystal structure study on calaverite, AuTe2 |
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Locality: synthetic |
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Sample: P = 5.13 GPa |
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_database_code_amcsd 0009869 |
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4.078 4.078 5.000 90 90 120 P-3m1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Au 0 0 0 .0117 .0117 .0074 .0059 0 0 |
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Te 2/3 1/3 .2932 .0105 .0105 .0104 .0052 0 0 |
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| Download AMC data (View Text File)
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Ag0.6NbS2 |
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Van der Lee A, Wiegers A, Haange R J, de Boer J L |
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Acta Crystallographica C46 (1990) 976-979 |
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Structure of Ag0.6NbS2 |
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_database_code_amcsd 0010144 |
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3.354 3.354 14.431 90 90 120 P6_3/mmc |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ag 1/3 2/3 .4801 .308 .049 .049 .0081 .098 0 0 |
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Nb 1/3 2/3 .25 .0047 .0047 .0074 .0094 0 0 |
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S 2/3 1/3 .14277 .0080 .0080 .0081 .0160 0 0 |
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| Download AMC data (View Text File)
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TaS2 |
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Meetsma A, Wiegers G A, Haange R J, de Boer J L |
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Acta Crystallographica C46 (1990) 1598-1599 |
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Structure of 2H-TaS2 |
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_database_code_amcsd 0010177 |
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3.314 3.314 12.097 90 90 120 P6_3/mmc |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ta 0 0 .25 .0034 .0034 .0065 .0017 0 0 |
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S 1/3 2/3 .1212 .0048 .0048 .0068 .0024 0 0 |
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| Download AMC data (View Text File)
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Tungstenite |
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Schutte W J, de Boer J L, Jellinek F |
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Journal of Solid State Chemistry 70 (1987) 207-209 |
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Crystal structures of tungsten disulfide and diselenide |
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Sample: 2H polytype |
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_database_code_amcsd 0013601 |
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3.1532 3.1532 12.323 90 90 120 P6_3/mmc |
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atom x y z |
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W1 1/3 2/3 .25 |
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S1 1/3 2/3 .6225 |
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| Download AMC data (View Text File)
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Tungstenite |
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Schutte W J, de Boer J L, Jellinek F |
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Journal of Solid State Chemistry 70 (1987) 207-209 |
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Crystal structures of tungsten disulfide and diselenide |
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Sample: 3R polytype |
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_database_code_amcsd 0013602 |
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3.158 3.158 18.49 90 90 120 R3m |
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atom x y z |
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W 0 0 .0000 |
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S1 0 0 .2497 |
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S2 0 0 .4190 |
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| Download AMC data (View Text File)
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WSe2 |
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Schutte W J, de Boer J L, Jellinek F |
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Journal of Solid State Chemistry 70 (1987) 207-209 |
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Crystal structures of tungsten disulfide and diselenide |
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_database_code_amcsd 0013603 |
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3.282 3.282 12.96 90 90 120 P6_3/mmc |
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atom x y z |
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W 1/3 2/3 .25 |
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Se 1/3 2/3 .6211 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Khatyrkite |
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Meetsma A, de Boer J L, van Smaalen S |
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Journal of Solid State Chemistry 83 (1989) 370-372 |
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Refinement of the crystal structure of tetragonal Al2Cu |
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Locality: synthetic |
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_database_code_amcsd 0013668 |
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6.067 6.067 4.877 90 90 90 I4/mcm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 .25 .0087 .0087 .0062 0 0 0 |
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Al .1581 .6581 0 .0104 .0104 .0109 -.0021 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Nb Se3 |
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van Smaalen S, de Boer J, Meetsma A, Graafsma H, Sheu H, Darovskikh A, |
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Coppens P, Levy F |
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Physical Review B 45 (1992) 3103-3106 |
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Determination of the structural distortions corresponding to the q1- |
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and q2-type modulations in niobium triselenide Nb Se3 |
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_cod_database_code 1008952 |
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_database_code_amcsd 0016818 |
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9.974 3.476 15.592 90 109.4 90 P2_1/m |
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atom x y z |
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Nb1 .3858 .25 .7326 |
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Nb2 .2615 .75 -.0552 |
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Nb3 .3780 .25 .0837 |
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Se1 .2539 .75 .8132 |
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Se2 .4601 .75 .6267 |
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Se3 .5212 .75 .7174 |
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Se4 .1260 .25 -.0393 |
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Se5 .2273 .25 .0491 |
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Se6 .3881 .25 .8603 |
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Se7 .2534 .75 .1716 |
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Se8 .4246 .75 -.0195 |
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Se9 .4099 .75 .1658 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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