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Cuspidine |
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Piotrowski A, Kahlenberg V, Fischer R X |
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American Mineralogist 85 (2000) 1534-1539 |
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Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family |
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Sample: single position O1 |
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_database_code_amcsd 0002593 |
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10.8730 10.5516 7.4287 90 109.74 90 P2_1/n |
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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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Ca1 .5754 .8767 .6647 .83 .0127 .0105 .0098 .0034 .0043 .0009 |
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Na1 .5754 .8767 .6647 .17 .0127 .0105 .0098 .0034 .0043 .0009 |
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Ca2 .8070 .1026 .5277 .45 .0134 .0101 .0140 -.0025 .0058 -.0008 |
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Na2 .8070 .1026 .5277 .55 .0134 .0101 .0140 -.0025 .0058 -.0008 |
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Ca3 .8174 .0835 .0339 .54 .0138 .0135 .0146 -.0039 .0046 -.0017 |
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Na3 .8174 .0835 .0339 .46 .0138 .0135 .0146 -.0039 .0046 -.0017 |
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Ca4 .5819 .8869 .1625 .19 .0163 .0173 .0142 .0038 .0057 .0011 |
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Na4 .5819 .8869 .1625 .81 .0163 .0173 .0142 .0038 .0057 .0011 |
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P1 .1241 .1832 .6435 .0083 .0075 .0073 .0003 .0037 -.0016 |
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P2 .6226 .3172 .7296 .0072 .0066 .0078 -.0002 .0023 -.0007 |
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F1 .6126 .0022 .9231 .0116 .0137 .0161 -.0031 .0039 -.0027 |
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F2 .6097 .0051 .4371 .0108 .0130 .0151 .0017 .0052 .0008 |
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O1 .0929 .2002 .4216 .2381 .0595 .0287 .0306 .0798 .0070 |
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O2 .8490 .9541 .7885 .0779 .0117 .0353 .0147 .0235 .0028 |
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O3 .9975 .2320 .6535 .0125 .0206 .0850 -.0017 .0178 -.0253 |
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O4 .1506 .0458 .6888 .0409 .0108 .0385 .0065 .0188 .0074 |
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O5 .9977 .2300 .0903 .0194 .0280 .0606 -.0061 -.0100 .0296 |
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O6 .7392 .2353 .7466 .0110 .0252 .0833 .0015 .0086 -.0310 |
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O7 .2399 .2659 .7412 .0137 .0246 .0648 .0022 -.0020 -.0217 |
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Cuspidine |
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Piotrowski A, Kahlenberg V, Fischer R X |
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American Mineralogist 85 (1999) 1534-1539 |
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Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family |
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Sample: split position O1 |
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_database_code_amcsd 0002594 |
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10.8730 10.5516 7.4287 90 109.74 90 P2_1/n |
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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 .5754 .8767 .6647 .83 .0127 .0105 .0098 .0034 .0043 .0009 |
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Na1 .5754 .8767 .6647 .17 .0127 .0105 .0098 .0034 .0043 .0009 |
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Ca2 .8070 .1026 .5277 .45 .0134 .0101 .0140 -.0025 .0058 -.0008 |
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Na2 .8070 .1026 .5277 .55 .0134 .0101 .0140 -.0025 .0058 -.0008 |
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Ca3 .8174 .0835 .0339 .54 .0138 .0135 .0146 -.0039 .0046 -.0017 |
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Na3 .8174 .0835 .0339 .46 .0138 .0135 .0146 -.0039 .0046 -.0017 |
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Ca4 .5819 .8869 .1625 .19 .0163 .0173 .0142 .0038 .0057 .0011 |
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Na4 .5819 .8869 .1625 .81 .0163 .0173 .0142 .0038 .0057 .0011 |
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P1 .1241 .1832 .6435 .0083 .0075 .0073 .0003 .0037 -.0016 |
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P2 .6226 .3172 .7296 .0072 .0066 .0078 -.0002 .0023 -.0007 |
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F1 .6126 .0022 .9231 .0116 .0137 .0161 -.0031 .0039 -.0027 |
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F2 .6097 .0051 .4371 .0108 .0130 .0151 .0017 .0052 .0008 |
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O1A .1670 .2114 .4546 .5 .0284 |
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O1B .0752 .1977 .4130 .5 .0287 |
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O2 .8490 .9541 .7885 .0779 .0117 .0353 .0147 .0235 .0028 |
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O3 .9975 .2320 .6535 .0125 .0206 .0850 -.0017 .0178 -.0253 |
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O4 .1506 .0458 .6888 .0409 .0108 .0385 .0065 .0188 .0074 |
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O5 .9977 .2300 .0903 .0194 .0280 .0606 -.0061 -.0100 .0296 |
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O6 .7392 .2353 .7466 .0110 .0252 .0833 .0015 .0086 -.0310 |
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O7 .2399 .2659 .7412 .0137 .0246 .0648 .0022 -.0020 -.0217 |
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Cuspidine |
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Fleet M E, Pan Y |
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The Canadian Mineralogist 33 (1995) 879-884 |
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The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group |
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_database_code_amcsd 0005460 |
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11.024 10.303 7.391 90 109.40 90 P2_1/a |
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atom x y z occ Biso |
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Na1 .4247 .1276 .8388 .845 .67 |
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Ca1 .4247 .1276 .8388 .155 .67 |
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Ca2 .4262 .1308 .3409 .845 .98 |
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Na2 .4262 .1308 .3409 .155 .98 |
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Lu3 .30858 .40160 .52890 .845 .50 |
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Ca3 .30858 .40160 .52890 .155 .50 |
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Ca4 .3010 .3957 .0257 .845 1.19 |
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Lu4 .3010 .3957 .0257 .155 1.19 |
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Si1 .1276 .1775 .7198 .80 |
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Si2 .1205 .1769 .1595 .85 |
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O1 .1373 .1937 .9507 2.66 |
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O2 .1601 .0289 .6939 1.53 |
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O3 .1471 .0248 .2059 2.00 |
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O4 .2403 .2726 .7134 1.47 |
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O5 .2380 .2681 .2831 1.55 |
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O6 .9840 .2215 .5903 1.44 |
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O7 .9808 .2262 .1291 1.61 |
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F1 .1127 .4916 .4465 1.13 |
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F2 .1083 .4949 .9304 1.36 |
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Cuspidine |
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Bellezza M, Merlino S, Perchiazzi N |
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European Journal of Mineralogy 16 (2004) 957-969 |
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Chemical and structural study of the Zr,Ti-disilicates in the venanzite |
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from Pian di Celle, Umbria, Italy |
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Locality: Pian di Celle, Umbria, Italy |
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_database_code_amcsd 0007083 |
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10.919 10.485 7.485 90 109.55 90 P2_1/a |
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atom x y z occ Uiso |
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Ca1 .3125 .0879 .0290 .86 .016 |
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Zr1 .3125 .0879 .0290 .14 .016 |
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Ca2 .4198 .3682 .8399 .016 |
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Ca3 .3061 .0950 .5307 .016 |
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Ca4 .4235 .3684 .3310 .83 .015 |
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Na4 .4235 .3684 .3310 .17 .015 |
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Si1 .6309 .1893 .2260 .014 |
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Si2 .6226 .1874 .6545 .013 |
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O1 .6221 .2197 .4376 .038 |
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O2 .7525 .2781 .2303 .021 |
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O3 .7421 .2748 .7783 .024 |
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O4 .6687 .0430 .2104 .028 |
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O5 .6556 .0403 .7042 .033 |
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O6 .4906 .2344 .0921 .023 |
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O7 .4801 .2355 .6412 .021 |
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F1 .6049 .4962 .9292 .019 |
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F2 .3955 .4985 .5744 .020 |
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Cuspidine |
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Saburi S, Kawahara A, Henmi C, Kusachi I, Kihara K |
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Mineralogical Journal 8 (1977) 286-298 |
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The refinement of the crystal structure of cuspidine |
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Locality: Fuka, Okayama Prefecture, Japan |
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_database_code_amcsd 0018273 |
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7.518 10.521 10.906 90 70.7 90 P2_1/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .16829 .13451 .42579 .01033 .00475 .00553 -.00030 -.00294 .00039 |
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Ca2 .66185 .13010 .41391 .00949 .00477 .00589 .00003 -.00258 .00043 |
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Ca3 .46733 .41443 .32002 .01003 .00440 .00676 -.00026 -.00369 .00041 |
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Ca4 .96777 .40429 .30375 .00986 .00453 .00548 -.00012 -.00280 .00035 |
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Si1 .27263 .19354 .13238 .00892 .00426 .00498 -.00007 -.00249 .00007 |
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Si2 .84667 .19123 .12271 .00888 .00439 .00483 -.00006 -.00245 .00007 |
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O1 .06242 .22547 .12172 .01068 .00534 .00804 -.00049 -.00417 .00069 |
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O2 .28644 .04608 .16487 .01253 .00470 .01094 -.00033 -.00554 .00093 |
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O3 .80102 .04458 .16033 .01227 .00497 .00903 -.00086 -.00475 .00108 |
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O4 .26934 .27839 .25602 .01213 .00537 .00537 -.00057 -.00804 -.00024 |
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O5 .72076 .27914 .24001 .01191 .00589 .00550 .00084 -.00262 -.00039 |
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O6 .40842 .23932 .99294 .01173 .00597 .00522 -.00076 -.00236 -.00009 |
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O7 .85795 .23458 .97883 .01311 .00552 .00545 .00047 -.00374 -.00002 |
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F1 .57710 .49645 .10434 .01264 .00584 .00579 -.00029 -.00285 -.00002 |
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F2 .07023 .50358 .10352 .01157 .00474 .00551 -.00009 -.00301 .00020 |
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Cuspidine |
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Smirnova R F, Rumanova I M, Belov N V |
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Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 84 (1955) 159-169 |
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Crystal structure of cuspidine |
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_database_code_amcsd 0018274 |
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7.55 10.43 10.85 90 69.93 90 P2_1/c |
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atom x y z |
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Ca1 .172 .133 .420 |
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Ca2 .663 .129 .420 |
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Ca3 .473 .412 .312 |
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Ca4 -.035 .408 .308 |
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Si1 .273 .192 .127 |
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Si2 .848 .192 .128 |
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O1 .065 .208 .125 |
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O2 .303 .042 .155 |
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O3 .813 .042 .155 |
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O4 .280 .280 .246 |
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O5 .720 .280 .246 |
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O6 .415 .240 -.015 |
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O7 -.145 .240 -.015 |
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F1 .575 .510 .100 |
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F2 .075 .510 .100 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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