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Paramelaconite |
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O'Keeffe M, Bovin J O |
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American Mineralogist 63 (1978) 180-185 |
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The crystal structure of paramelaconite, Cu4O3 |
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_database_code_amcsd 0000614 |
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5.837 5.837 9.932 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu1 0 0 0 .0066 .0093 .0021 0 0 -.0023 |
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Cu2 0 0 .5 .0055 .0038 .0003 0 0 .0001 |
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O1 0 .25 .1173 0.8 |
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O2 0 .25 .375 0.7 |
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Sb6O7(SO4)2 |
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Bovin J O |
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Acta Crystallographica B32 (1976) 1771-1777 |
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The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2 |
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_database_code_amcsd 0009569 |
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12.073 19.023 5.876 90 90 90 Ccc2 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb1 .10783 .06606 0 .00153 .00077 .00556 -.00004 -.00002 -.00051 |
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Sb2 .68785 .06510 .11354 .00110 .00072 .00845 .00022 -.00014 -.00073 |
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Sb3 .09265 .20691 .63163 .00192 .00075 .00523 -.00047 -.00013 -.00001 |
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S .3665 .1554 .1589 1.2 |
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O1 0 0 -.1548 1.2 |
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O2 .2423 -.0009 -.1129 1.1 |
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O3 .8470 .1010 .1700 .9 |
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O4 .0071 .1652 .8930 1.2 |
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O5 .3085 .1675 .9396 3.1 |
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O6 .2847 .1547 .3500 1.3 |
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O7 .4456 .2124 .2011 3.7 |
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O8 .4237 .0878 .1627 2.3 |
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Natisite |
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Nyman H, O'Keeffe M, Bovin J O |
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Acta Crystallographica B34 (1978) 905-906 |
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Sodium titanium silicate, Na2TiSiO5 |
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Locality: synthetic |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0009628 |
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6.480 6.480 5.107 90 90 90 P4/nmm |
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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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Na .25 .25 .5 .0052 .0052 .0110 -.0008 -.0026 .0026 |
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Ti .5 0 .9343 .0008 .0008 .0050 0 0 0 |
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Si 0 0 0 .0003 .0003 .0052 0 0 0 |
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O1 0 .2071 .1831 .0023 .0023 .0079 0 0 -.0005 |
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O2 .5 0 -.7338 .0041 .0041 .0088 0 0 0 |
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Chestermanite |
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Alfredsson V, Bovin J O, Norrestam R, Terasaki O |
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Acta Chemica Scandinavica 45 (1991) 797-804 |
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The structure of the mineral chestermanite, |
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Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3. A combined single-crystal X-ray and HREM |
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study |
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_database_code_amcsd 0011934 |
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18.5250 12.272 3.0218 90 90 90 Pbam |
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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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MgM1 0 0 0 .484 .0056 .0056 .0057 .0056 .0001 0 0 |
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AlM1 0 0 0 .034 .0056 .0056 .0057 .0056 .0001 0 0 |
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FeM1 0 .5 0 .233 .0056 .0069 .0087 .0106 -.0014 0 0 |
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TiM1 0 .5 0 .011 .0056 .0069 .0087 .0106 -.0014 0 0 |
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SbM1 0 0 0 .482 .0056 .0056 .0057 .0056 .0001 0 0 |
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MgM2 0 .5 0 .706 .0087 .0069 .0087 .0106 -.0014 0 0 |
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AlM2 0 .5 0 .05 .0087 .0069 .0087 .0106 -.0014 0 0 |
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MgM3 .1247 .1708 .5 .934 .0081 .0081 .0078 .0084 -.0008 0 0 |
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AlM3 .1247 .1708 .5 .066 .0081 .0081 .0078 .0084 -.0008 0 0 |
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FeM4 .1275 .3893 0 .181 .0082 .0087 .0060 .0099 .0002 0 0 |
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TiM4 .1275 .3893 0 .009 .0082 .0087 .0060 .0099 .0002 0 0 |
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MgM4 .1275 .3893 0 .756 .0082 .0087 .0060 .0099 .0002 0 0 |
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AlM4 .1275 .3893 0 .054 .0082 .0087 .0060 .0099 .0002 0 0 |
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FeM5 .2570 .2710 0 .44 .0075 .0064 .0076 .0086 -.0004 0 0 |
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TiM5 .2570 .2710 0 .02 .0075 .0064 .0076 .0086 -.0004 0 0 |
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MgM5 .2570 .2710 0 .504 .0075 .0064 .0076 .0086 -.0004 0 0 |
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AlM5 .2570 .2710 0 .036 .0075 .0064 .0076 .0086 -.0004 0 0 |
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MgM6 .3746 .1089 .5 .934 .0084 .0087 .0075 .0090 .0009 0 0 |
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AlM6 .3746 .1089 .5 .066 .0084 .0087 .0075 .0090 .0009 0 0 |
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MgM7 .3728 .3885 .5 .934 .0086 .0083 .0083 .0093 -.0008 0 0 |
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AlM7 .3728 .3885 .5 .066 .0086 .0083 .0083 .0093 -.0008 0 0 |
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B1 -.0115 .2513 0 .0082 |
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B2 .2373 .0293 0 .0080 |
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O1 .0686 .0317 .5 .0096 |
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O2 .0629 .2472 0 .0086 |
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O3 .0702 .4629 .5 .0124 |
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O4 .1991 .1266 0 .0092 |
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O5 .1834 .3137 .5 .0121 |
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O6 .3117 .0313 0 .0088 |
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O7 .3208 .2454 .5 .0107 |
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O8 .3006 .4321 0 .0085 |
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O9 .4507 .1525 0 .0091 |
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O10 .4500 .3474 0 .0090 |
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