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Davreuxite |
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Sahl K, Jones P G, Sheldrick G M |
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American Mineralogist 69 (1984) 783-787 |
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The crystal structure of davreuxite, MnAl6Si4O17(OH)2 |
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_database_code_amcsd 0000955 |
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9.518 5.753 12.040 90 108 90 P2_1/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn .3516 .25 .6351 0.015 0.004 0.026 0 0.003 0 |
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Si1 .8115 .25 .4796 0.009 0.001 0.013 0 0.002 0 |
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Si2 .4962 .25 .3911 0.011 0.002 0.015 0 0.004 0 |
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Si3 .6823 .25 .0966 0.008 0.001 0.014 0 0.002 0 |
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Si4 .8992 .25 .8574 0.009 0.003 0.014 0 0.002 0 |
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Al1 .3196 .25 .9032 0.010 0.004 0.015 0 0.001 0 |
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Al2 .0906 .25 .1340 0.009 0.002 0.015 0 0.001 0 |
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Al3 .9387 .9953 .3075 0.010 0.000 0.013 0.000 0.003 0.000 |
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Al4 .4026 .0008 .1547 0.009 0.001 0.014 0.000 0.002 0.001 |
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O1 .9844 .25 .9915 .015 |
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O2 .4742 .25 .8548 .010 |
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O3 .5279 .25 .1268 .011 |
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O4 .7230 .25 .8375 .010 |
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OH5 .3656 .25 .4535 .012 |
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O6 .6499 .25 .4992 .011 |
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O7 .2786 .25 .1501 .010 |
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O8 .8290 .25 .2097 .012 |
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O9 .9432 .25 .6047 .011 |
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OH10 .0555 .25 .3790 .009 |
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O11 .1720 .25 .7733 .010 |
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O12 .8248 .0158 .4084 .009 |
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O13 .6829 .0144 .0223 .009 |
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O14 .0593 .9850 .2017 .010 |
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O15 .4906 .0209 .3141 .011 |
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AsO2 |
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Jones P G, Beesk W, Sheldrick G M, Schwarzmann E |
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Acta Crystallographica B36 (1980) 439-440 |
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Arsenic dioxide |
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_database_code_amcsd 0009702 |
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8.597 5.235 7.269 90 90 90 Pnma |
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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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As1 .0738 .25 .1731 .022 .021 .022 0 0 0 |
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As2 .2647 .25 -.1965 .023 .023 .023 0 -.002 0 |
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O1 .0900 -.0050 .3196 .029 .021 .028 .002 .004 .003 |
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O2 .2465 .25 .0527 .026 .027 .026 0 .005 0 |
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O3 -.0884 .25 .0620 .030 .037 .032 0 -.005 0 |
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AsSbO4 |
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Jones P G, Sheldrick G M, Schwarzmann E |
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Acta Crystallographica B36 (1980) 1923-1925 |
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Antimony(III) arsenic(V) oxide |
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_database_code_amcsd 0009713 |
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4.794 6.925 5.307 90 93.55 90 P2_1/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As .7172 .25 .1101 .008 .013 .001 .010 0 -.002 0 |
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Sb .2067 .25 .6782 .015 .014 .020 .011 0 .002 0 |
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O1 .8348 .25 .8190 .027 |
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O2 .3699 .25 .0375 .035 |
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O3 .8069 .0625 .2847 .042 |
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Beta-As4S4 |
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Porter E J, Sheldrick G M |
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Dalton Transactions 1972 (1972) 1347-1349 |
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Crystal structure of a new crystalline modification of tetra-arsenic |
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tetrasuphide (2,3,4,8-tetrathia1,2,3,7-tetra-arsatricyclo[3,3,0,0]-octane) |
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Locality: synthetic |
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_database_code_amcsd 0012424 |
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9.957 9.335 8.889 90 102.48 90 C2/c |
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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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As1 -.0012 -.2058 .0551 .0495 .0451 .0375 .0086 .0070 .0091 |
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As2 -.1599 -.4012 .1261 .0363 .0441 .0459 .0012 -.0038 -.0070 |
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S1 0 -.0531 .25 .0565 .0379 .0524 0 .0049 0 |
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S2 0 -.5522 .25 .0595 .0309 .0663 0 -.0002 0 |
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S3 -.2015 -.3048 .3406 .0420 .0619 .0591 -.0090 .0153 -.0133 |
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AsPO4 |
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Bodenstein D, Brehm A, Jones P G, Schwarzmann E, Sheldrick G M |
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Zeitschrift fur Naturforschung B37 (1982) 136-137 |
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Preparation and crystal structure of arsenic(III) phosphorus(V) oxide, AsPO4 |
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_database_code_amcsd 0015836 |
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8.4315 5.0229 7.2039 90 90 90 Pnma |
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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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As .2444 .25 -.1964 .0114 .0108 .0117 0 -.0014 0 |
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P .0825 .25 .1837 .0101 .0079 .0112 0 -.0001 0 |
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O1 .1047 .0032 .3128 .0149 .0099 .0165 .0030 .0023 .0024 |
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O2 .2310 .25 .0522 .0106 .0162 .0125 0 .0022 0 |
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O3 -.0738 .25 .0913 .0130 .0178 .0177 0 -.0023 0 |
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As3O5(OH) |
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Bodenstein D, Brehm A, Jones P G, Schwarzmann E, Sheldrick G M |
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Zeitschrift fur Naturforschung B37 (1982) 138-140 |
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Darstellung und kristallstruktur von arsen(III)arsen(V)oxidhydroxid As3O5(OH) |
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_database_code_amcsd 0015837 |
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12.504 4.593 10.976 90 118.08 90 P2_1/c |
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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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As1 -.0369 .2502 .1364 .012 .009 .015 .001 .006 .002 |
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As2 .4438 -.0531 .1372 .013 .010 .017 -.001 .008 -.002 |
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As3 .2413 .1076 .2252 .021 .019 .030 .001 .013 .000 |
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O1 .0420 .3895 .3081 .018 .015 .013 .005 .007 .002 |
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O2 .1002 .2119 .1162 .014 .022 .024 .001 .013 .005 |
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O3 .2903 -.0183 .1179 .014 .020 .034 -.002 .013 -.009 |
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O4 .4940 .3099 .1907 .022 .011 .020 -.001 .014 .003 |
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OH5 .2332 -.1611 .3198 .034 .020 .035 .010 .027 .011 |
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O6 .3233 .3686 .3175 .017 .016 .028 .001 .010 -.008 |
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Stibioclaudetite |
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Bodenstein D, Brehm A, Jones P G, Schwarzmann E, Sheldrick G M |
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Zeitschrift fur Naturforschung B38 (1983) 901-904 |
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Darstellung und kristallstruktur von monoklinem arsen(III)antimon(III)oxid, |
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AsSbO3 |
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_database_code_amcsd 0015838 |
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4.58 13.16 5.44 90 95.0 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As .0371 .0966 .2572 .016 .013 .019 .018 -.002 .000 .001 |
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Sb .0054 .3534 .3332 .023 .019 .026 .026 .000 .002 -.001 |
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O1 .0633 .2135 .4296 .027 |
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O2 .1498 .4025 .6634 .022 |
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O3 .1187 .1402 -.0444 .021 |
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