Enstatite
	Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
	American Mineralogist 80 (1995) 923-929
	Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
	estimation of C2/c pyroxene contributions to apparent Pbca diffraction
	violations
	Sample: OPX SDM N.13, natural
	_database_code_amcsd 0001755
	18.316 8.907 5.218 90 90 90 Pbca
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Sia .27149 .34060 .05180 .00044 .00135 .00294 -.00013 -.00001 -.00008
	Sib .47403 .33660 .79535 .00047 .00154 .00219 .00014 .00009 .00001
	Mg1 .37540 .65459 .87426 .896 .00056 .00177 .00263 .00000 -.00015 .00015
	Fe1 .37540 .65459 .87426 .104 .00056 .00177 .00263 .00000 -.00015 .00015
	Fe2 .37797 .48308 .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008
	Mg2 .37797 .48308 .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008
	Ca2 .37797 .48308 .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008
	O1a .18355 .33731 .04361 .00046 .00239 .00322 -.00010 .00033 .00016
	O1b .56266 .33632 .79552 .00042 .00255 .00364 .00011 -.00036 .00031
	O2a .31117 .50053 .05332 .00069 .00192 .00466 -.00020 -.00058 .00004
	O2b .43402 .48555 .69789 .00070 .00249 .00455 .00032 -.00019 .00076
	O3a .30233 .23184 -.17642 .00060 .00273 .00635 .00001 .00036 -.00239
	O3b .44739 .20280 .59356 .00062 .00280 .00649 -.00003 -.00014 -.00234
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	Enstatite
	Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M
	American Mineralogist 80 (1995) 923-929
	Orthopyroxene from the Serra de Mage meteorite: Structure refinement and
	estimation of C2/c pyroxene contributions to apparent Pbca diffraction
	violations
	Sample: OPX SDM N.7, heated
	_database_code_amcsd 0001756
	18.320 8.917 5.219 90 90 90 Pbca
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Sia .27178 .34044 .05067 .00035 .00100 .00544 -.00020 -.00014 .00006
	Sib .47383 .33640 .79521 .00044 .00132 .00450 .00021 .00028 .00020
	Fe1 .37558 .65406 .87255 .232 .00044 .00145 .00435 -.00003 .00008 .00008
	Mg1 .37558 .65406 .87255 .768 .00044 .00145 .00435 -.00003 .00008 .00008
	Fe2 .37776 .48319 .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006
	Mg2 .37776 .48319 .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006
	Ca2 .37776 .48319 .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006
	O1a .18414 .33775 .03730 .00031 .00196 .00475 -.00008 -.00009 .00090
	O1b .56235 .33755 .79219 .00021 .00280 .00449 .00011 -.00009 .00101
	O2a .31098 .49976 .04844 .00038 .00262 .00658 -.00036 -.00045 .00053
	O2b .43401 .48420 .69768 .00054 .00341 .00609 .00020 -.00002 .00020
	O3a .30222 .23043 -.17242 .00060 .00300 .00629 -.00038 .00063 -.00173
	O3b .44755 .20209 .59672 .00067 .00262 .00584 .00005 -.00002 -.00273
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 81 (1996) 1337-1343
	The structure of ordered and disordered lead feldspar (PbAl2Si2O8)
	Sample: disordered
	_database_code_amcsd 0001839
	8.428 13.054 7.174 90 115.32 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2749 .0213 .1406 .5 .022 .052 .043 .016 .008 .004
	Si1 .0038 .1793 .2258 .5 .018 .013 .016 .005 .009 -.001
	Al1 .0038 .1793 .2258 .5 .018 .013 .016 .005 .009 -.001
	Si2 .6932 .1170 .3455 .5 .010 .006 .008 .000 .003 .000
	Al2 .6932 .1170 .3455 .5 .010 .006 .008 .000 .003 .000
	OA(l) 0 .1353 0 .027 .019 .015 .000 .007 .000
	OA(2) .6033 0 .2956 .019 .012 .031 .000 .010 .000
	OB .8175 .1311 .2214 .028 .025 .032 .000 .017 .001
	OC .0181 .3066 .2539 .025 .019 .029 -.006 .014 .002
	OD .1905 .1249 .4010 .025 .028 .016 .001 .001 -.001
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 81 (1996) 1337-1343
	The structure of ordered and disordered lead feldspar (PbAl2Si2O8)
	Sample: ordered
	_database_code_amcsd 0001840
	8.388 13.067 14.327 90 115.19 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2715 -.0098 .0731 .5 .009 .030 .021 -.002 .005 -.001
	Si1(0) .0077 .1755 .1091 .007 .008 .006 -.002 .003 -.001
	Al1(z) .0021 .1797 .6163 .006 .007 .007 -.002 .004 -.000
	Al2(0) .6945 .1202 .1712 .004 .007 .008 .001 .003 .001
	Si2(z) .6867 .1137 .6748 .005 .006 .009 -.001 .003 -.001
	OA(l) .0062 .1336 .0006 .016 .015 .007 -.002 .005 .000
	OA(2) .5956 -.0008 .1471 .007 .004 .017 .002 .004 .002
	OB(O) .8280 .1295 .1055 .011 .014 .023 -.004 .012 -.001
	OB(z) .8154 .1300 .6191 .009 .019 .022 -.002 .013 .001
	OC(O) .0178 .2979 .1217 .013 .010 .018 -.005 .008 -.002
	OC(Z) .0182 .3109 .6328 .011 .007 .018 -.003 .005 -.003
	OD(O) .1833 .1230 .1957 .015 .021 .010 -.000 .000 .002
	OD(z) .2006 .1202 .7010 .009 .014 .012 .001 .001 .001
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L1h, single Pb site
	_database_code_amcsd 0001953
	8.395 13.081 14.343 90 115.27 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2716 -.0096 .0728 .017 .044 .022 -.003 .008 -.002
	Al1o .0078 .1760 .1091 .075 .014 .014 .006 -.003 .006 -.001
	Si1o .0078 .1760 .1091 .925 .014 .014 .006 -.003 .006 -.001
	Al1z .0022 .1797 .6164 .925 .013 .013 .009 -.003 .008 -.001
	Si1z .0022 .1797 .6164 .075 .013 .013 .009 -.003 .008 -.001
	Al2o .6948 .1201 .1711 .925 .013 .010 .008 .000 .007 .000
	Si2o .6948 .1201 .1711 .075 .013 .010 .008 .000 .007 .000
	Al2z .6873 .1140 .6749 .075 .012 .011 .009 .001 .007 .001
	Si2z .6873 .1140 .6749 .925 .012 .011 .009 .001 .007 .001
	OA(1) .0052 .1342 .0009 .027 .021 .009 -.002 .012 -.002
	OA(2) .5944 -.0005 .1459 .015 .011 .022 -.002 .009 .000
	OB(o) .8256 .1289 .1060 .014 .019 .023 .004 .012 -.001
	OB(Z) .8137 .1301 .6183 .014 .022 .031 -.001 .017 .003
	OC(O) .0189 .2987 .1219 .021 .017 .019 -.002 .010 -.002
	OC(Z) .0190 .3108 .6323 .018 .018 .020 -.003 .010 .004
	OD(o) .1845 .1233 .1957 .021 .028 .011 .003 .008 .005
	OD(Z) .2021 .1210 .7011 .018 .018 .015 .004 .004 .004
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L1h, split Pb site
	_database_code_amcsd 0001954
	8.395 13.081 14.343 90 115.27 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2699 -.0111 .0736 .6 .013 .027 .015 -.007 .004 .000
	Pb" .2758 -.0029 .0704 .4 .026 .119 .044 .009 .022 -.003
	Al1o .0078 .1760 .1091 .075 .014 .014 .006 -.003 .006 -.001
	Si1o .0078 .1760 .1091 .925 .014 .014 .006 -.003 .006 -.001
	Al1z .0022 .1797 .6164 .925 .013 .013 .009 -.003 .008 -.001
	Si1z .0022 .1797 .6164 .075 .013 .013 .009 -.003 .008 -.001
	Al2o .6948 .1201 .1711 .925 .013 .010 .008 .000 .007 .000
	Si2o .6948 .1201 .1711 .075 .013 .010 .008 .000 .007 .000
	Al2z .6873 .1140 .6749 .075 .012 .011 .009 .001 .007 .001
	Si2z .6873 .1140 .6749 .925 .012 .011 .009 .001 .007 .001
	OA(1) .0052 .1342 .0009 .027 .021 .009 -.002 .012 -.002
	OA(2) .5944 -.0005 .1459 .015 .011 .022 -.002 .009 .000
	OB(o) .8256 .1289 .1060 .014 .019 .023 .004 .012 -.001
	OB(Z) .8137 .1301 .6183 .014 .022 .031 -.001 .017 .003
	OC(O) .0189 .2987 .1219 .021 .017 .019 -.002 .010 -.002
	OC(Z) .0190 .3108 .6323 .018 .018 .020 -.003 .010 .004
	OD(o) .1845 .1233 .1957 .021 .028 .011 .003 .008 .005
	OD(Z) .2021 .1210 .7011 .018 .018 .015 .004 .004 .004
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L16h, single Pb site
	_database_code_amcsd 0001955
	8.399 13.061 14.334 90 115.28 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2723 -.0079 .0719 .017 .071 .028 -.010 .007 -.003
	Al1o .0072 .1773 .1097 .14 .011 .013 .008 -.002 .004 -.002
	Si1o .0072 .1773 .1097 .86 .011 .013 .008 -.002 .004 -.002
	Al1z .0025 .1793 .6153 .86 .013 .013 .004 -.003 .007 .000
	Si1z .0025 .1793 .6153 .14 .013 .013 .004 -.003 .007 .000
	Al2o .6958 .1198 .1714 .86 .007 .008 .010 .004 .004 .001
	Si2o .6958 .1198 .1714 .14 .007 .008 .010 .004 .004 .001
	Al2z .6875 .1149 .6738 .14 .012 .011 .009 -.003 .006 -.002
	Si2z .6875 .1149 .6738 .86 .012 .011 .009 -.003 .006 -.002
	OA(1) .0020 .1345 -.0010 .022 .021 .011 .004 .009 -.003
	OA(2) .5984 -.0004 .1465 .014 .015 .018 -.003 .006 -.005
	OB(o) .8294 .1294 .1079 .021 .021 .026 -.003 .015 -.005
	OB(Z) .8148 .1322 .6163 .021 .015 .024 -.005 .011 .003
	Oc(o) .0179 .3008 .1219 .023 .011 .023 .000 .008 -.001
	Ocz .0200 .3105 .6325 .012 .014 .020 -.001 .007 -.006
	Odo .1837 .1244 .1963 .020 .020 .014 .004 .000 .005
	Odz .1986 .1228 .7021 .015 .019 .016 .001 .006 -.001
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L16h, split Pb site
	_database_code_amcsd 0001956
	8.399 13.061 14.334 90 115.28 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2731 -.0136 .0730 .6 .009 .039 .019 -.012 .003 .000
	Pb" .2726 .0058 .0691 .4 .037 .109 .048 .031 .014 -.002
	Al1o .0072 .1773 .1097 .14 .011 .013 .008 -.002 .004 -.002
	Si1o .0072 .1773 .1097 .86 .011 .013 .008 -.002 .004 -.002
	Al1z .0025 .1793 .6153 .86 .013 .013 .004 -.003 .007 .000
	Si1z .0025 .1793 .6153 .14 .013 .013 .004 -.003 .007 .000
	Al2o .6958 .1198 .1714 .86 .007 .008 .010 .004 .004 .001
	Si2o .6958 .1198 .1714 .14 .007 .008 .010 .004 .004 .001
	Al2z .6875 .1149 .6738 .14 .012 .011 .009 -.003 .006 -.002
	Si2z .6875 .1149 .6738 .86 .012 .011 .009 -.003 .006 -.002
	OA(1) .0020 .1345 -.0010 .022 .021 .011 .004 .009 -.003
	OA(2) .5984 -.0004 .1465 .014 .015 .018 -.003 .006 -.005
	OB(o) .8294 .1294 .1079 .021 .021 .026 -.003 .015 -.005
	OB(Z) .8148 .1322 .6163 .021 .015 .024 -.005 .011 .003
	Oc(o) .0179 .3008 .1219 .023 .011 .023 .000 .008 -.001
	Ocz .0200 .3105 .6325 .012 .014 .020 -.001 .007 -.006
	Odo .1837 .1244 .1963 .020 .020 .014 .004 .000 .005
	Odz .1986 .1228 .7021 .015 .019 .016 .001 .006 -.001
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L64h, single Pb site
	_database_code_amcsd 0001957
	8.405 13.063 14.344 90 115.29 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2723 -.0076 .0718 .014 .074 .031 -.010 .006 -.005
	Al1o .0068 .1769 .1091 .15 .013 .008 .007 -.004 .007 -.001
	Si1o .0068 .1769 .1091 .85 .013 .008 .007 -.004 .007 -.001
	Al1z .0027 .1799 .6162 .85 .008 .008 .007 -.003 .003 -.002
	Si1z .0027 .1799 .6162 .15 .008 .008 .007 -.003 .003 -.002
	Al2o .6968 .1195 .1720 .85 .006 .004 .011 .001 .002 -.001
	Si2o .6968 .1195 .1720 .15 .006 .004 .011 .001 .002 -.001
	Al2z .6883 .1148 .6734 .15 .006 .008 .010 .000 .005 .001
	Si2z .6883 .1148 .6734 .85 .006 .008 .010 .000 .005 .001
	Oa1 .0049 .1335 .0003 .022 .012 .008 -.001 .010 .000
	Oa2 .5988 -.0010 .1456 .013 .005 .021 .003 .004 .009
	Obo .8256 .1295 .1079 .030 .013 .024 -.008 .020 -.002
	Obz .8157 .1300 .6156 .011 .020 .028 -.004 .008 .004
	Oco .0158 .3004 .1207 .015 .019 .022 -.003 .010 .002
	Ocz .0205 .3109 .6320 .018 .017 .011 -.002 .004 -.005
	Odo .1856 .1254 .1964 .027 .023 .011 .002 .008 .007
	Odz .1958 .1211 .7010 .008 .021 .015 -.001 .000 -.003
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_L64h, split Pb site
	_database_code_amcsd 0001958
	8.405 13.063 14.344 90 115.29 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2742 .0005 .0695 .6 .018 .118 .049 .013 .012 .001
	Pb" .2710 -.0136 .0737 .4 .010 .025 .015 -.015 .002 -.003
	Al1o .0068 .1769 .1091 .15 .013 .008 .007 -.004 .007 -.001
	Si1o .0068 .1769 .1091 .85 .013 .008 .007 -.004 .007 -.001
	Al1z .0027 .1799 .6162 .85 .008 .008 .007 -.003 .003 -.002
	Si1z .0027 .1799 .6162 .15 .008 .008 .007 -.003 .003 -.002
	Al2o .6968 .1195 .1720 .85 .006 .004 .011 .001 .002 -.001
	Si2o .6968 .1195 .1720 .15 .006 .004 .011 .001 .002 -.001
	Al2z .6883 .1148 .6734 .15 .006 .008 .010 .000 .005 .001
	Si2z .6883 .1148 .6734 .85 .006 .008 .010 .000 .005 .001
	Oa1 .0049 .1335 .0003 .022 .012 .008 -.001 .010 .000
	Oa2 .5988 -.0010 .1456 .013 .005 .021 .003 .004 .009
	Obo .8256 .1295 .1079 .030 .013 .024 -.008 .020 -.002
	Obz .8157 .1300 .6156 .011 .020 .028 -.004 .008 .004
	Oco .0158 .3004 .1207 .015 .019 .022 -.003 .010 .002
	Ocz .0205 .3109 .6320 .018 .017 .011 -.002 .004 -.005
	Odo .1856 .1254 .1964 .027 .023 .011 .002 .008 .007
	Odz .1958 .1211 .7010 .008 .021 .015 -.001 .000 -.003
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_H136h, single Pb site
	_database_code_amcsd 0001959
	8.418 13.076 14.365 90 115.28 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2723 -.0045 .0715 .015 .098 .032 -.016 .006 -.005
	Al1o .0055 .1775 .1105 .29 .009 .016 .008 -.004 .002 .001
	Si1o .0055 .1775 .1105 .71 .009 .016 .008 -.004 .002 .001
	Al1z .0040 .1794 .6147 .71 .011 .012 .010 -.003 .006 -.001
	Si1z .0040 .1794 .6147 .29 .011 .012 .010 -.003 .006 -.001
	Al2o .6942 .1186 .1719 .71 .006 .007 .012 -.001 .004 -.001
	Si2o .6942 .1186 .1719 .29 .006 .007 .012 -.001 .004 -.001
	Al2z .6897 .1153 .6735 .29 .008 .012 .007 .000 .002 -.001
	Si2z .6897 .1153 .6735 .71 .008 .012 .007 .000 .002 -.001
	Oa1 .0021 .1342 -.0010 .019 .020 .012 -.001 .008 -.003
	Oa2 .5992 -.0003 .1462 .010 .010 .025 -.001 .006 -.002
	Obo .8219 .1311 .1084 .017 .024 .027 .004 .010 .001
	Obz .8169 .1305 .6146 .019 .022 .030 -.004 .014 -.001
	Oco .0160 .3025 .1233 .023 .020 .021 -.006 .009 .003
	Ocz .0206 .3092 .6310 .014 .017 .027 -.006 .005 -.002
	Odo .1876 .1242 .1980 .018 .027 .015 .004 .002 .003
	Odz .1946 .1222 .7007 .016 .026 .016 -.002 .003 -.001
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	Feldspar
	Tribaudino M, Benna P, Bruno E
	American Mineralogist 83 (1998) 159-166
	Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
	Sample: PbF_H136h, split Pb site
	_database_code_amcsd 0001960
	8.418 13.076 14.365 90 115.28 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2717 -.0141 .0743 .6 .013 .046 .023 -.011 .005 .005
	Pb" .2760 .0171 .0656 .4 .019 .072 .044 .014 .011 .020
	Al1o .0055 .1775 .1105 .29 .009 .016 .008 -.004 .002 .001
	Si1o .0055 .1775 .1105 .71 .009 .016 .008 -.004 .002 .001
	Al1z .0040 .1794 .6147 .71 .011 .012 .010 -.003 .006 -.001
	Si1z .0040 .1794 .6147 .29 .011 .012 .010 -.003 .006 -.001
	Al2o .6942 .1186 .1719 .71 .006 .007 .012 -.001 .004 -.001
	Si2o .6942 .1186 .1719 .29 .006 .007 .012 -.001 .004 -.001
	Al2z .6897 .1153 .6735 .29 .008 .012 .007 .000 .002 -.001
	Si2z .6897 .1153 .6735 .71 .008 .012 .007 .000 .002 -.001
	Oa1 .0021 .1342 -.0010 .019 .020 .012 -.001 .008 -.003
	Oa2 .5992 -.0003 .1462 .010 .010 .025 -.001 .006 -.002
	Obo .8219 .1311 .1084 .017 .024 .027 .004 .010 .001
	Obz .8169 .1305 .6146 .019 .022 .030 -.004 .014 -.001
	Oco .0160 .3025 .1233 .023 .020 .021 -.006 .009 .003
	Ocz .0206 .3092 .6310 .014 .017 .027 -.006 .005 -.002
	Odo .1876 .1242 .1980 .018 .027 .015 .004 .002 .003
	Odz .1946 .1222 .7007 .016 .026 .016 -.002 .003 -.001
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 20 C, single Pb atom model
	_database_code_amcsd 0002065
	8.402 13.043 14.308 90 115.30 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2709 -.0080 .0723 .012 .055 .028 -.004 .005 -.002
	Si1(O) .0062 .1767 .1097 .71 .009 .013 .010 -.002 .004 -.000
	Al1(O) .0062 .1767 .1097 .29 .009 .013 .010 -.002 .004 -.000
	Si1(z) .0033 .1794 .6156 .71 .005 .012 .007 -.002 .001 -.000
	Al1(z) .0033 .1794 .6156 .29 .005 .012 .007 -.002 .001 -.000
	Si2(O) .6950 .1192 .1717 .71 .004 .009 .008 .000 .000 .000
	Al2(O) .6950 .1192 .1717 .29 .004 .009 .008 .000 .000 .000
	Si2(z) .6883 .1147 .6739 .71 .006 .010 .012 .000 .004 -.001
	Al2(z) .6883 .1147 .6739 .29 .006 .010 .012 .000 .004 -.001
	OA(1) .0041 .1342 .0012 .018 .024 .006 -.003 .005 .000
	OA(2) .5986 -.0011 .1470 .008 .010 .020 -.001 .001 .000
	OB(O) .8248 .1297 .1074 .011 .022 .024 -.003 .008 .000
	OB(z) .8144 .1311 .6170 .017 .025 .029 -.005 .013 .001
	OC(O) .0178 .3006 .1224 .012 .022 .020 -.005 .005 -.003
	OC(z) .0183 .3103 .6323 .021 .015 .018 -.009 .005 -.003
	OD(O) .1857 .1240 .1969 .013 .026 .011 .001 -.001 .002
	OD(z) .1987 .1212 .7010 .014 .021 .013 -.002 .000 .003
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 230 C, single Pb atom model
	_database_code_amcsd 0002066
	8.422 13.045 14.310 90 115.34 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2731 -.0063 .0713 .021 .084 .044 -.006 .008 -.004
	Si1(O) .0059 .1777 .1100 .71 .016 .019 .012 -.004 .005 .001
	Al1(O) .0059 .1777 .1100 .29 .016 .019 .012 -.004 .005 .001
	Si1(z) .0039 .1798 .6158 .71 .011 .017 .013 -.003 .005 .001
	Al1(z) .0039 .1798 .6158 .29 .011 .017 .013 -.003 .005 .001
	Si2(O) .6959 .1194 .1714 .71 .013 .013 .015 .002 .002 .002
	Al2(O) .6959 .1194 .1714 .29 .013 .013 .015 .002 .002 .002
	Si2(z) .6901 .1148 .6732 .71 .008 .018 .015 -.003 .003 -.003
	Al2(z) .6901 .1148 .6732 .29 .008 .018 .015 -.003 .003 -.003
	OA(1) .0041 .1342 .0011 .029 .031 .014 -.001 .009 -.001
	OA(2) .6023 -.0016 .1462 .011 .016 .038 .000 .004 -.001
	OB(O) .8236 .1310 .1078 .017 .037 .029 -.008 .008 .001
	OB(z) .8153 .1320 .6159 .031 .039 .052 -.007 .028 .001
	OC(O) .0200 .3011 .1217 .020 .032 .026 -.008 .012 -.002
	OC(z) .0176 .3101 .6332 .026 .027 .036 -.010 .011 -.006
	OD(O) .1815 .1252 .1976 .028 .037 .022 .004 .005 -.001
	OD(z) .1982 .1208 .7011 .012 .035 .016 -.001 -.002 .005
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 465 C, single Pb atom model
	_database_code_amcsd 0002067
	8.440 13.051 14.325 90 115.33 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2745 -.0050 .0706 .026 .104 .056 -.009 .011 -.007
	Si1(O) .0061 .1786 .1095 .71 .024 .024 .019 -.004 .012 .000
	Al1(O) .0061 .1786 .1095 .29 .024 .024 .019 -.004 .012 .000
	Si1(z) .0039 .1802 .6160 .71 .011 .018 .014 -.006 .003 -.001
	Al1(z) .0039 .1802 .6160 .29 .011 .018 .014 -.006 .003 -.001
	Si2(O) .6980 .1194 .1727 .71 .006 .018 .017 .001 .001 .002
	Al2(O) .6980 .1194 .1727 .29 .006 .018 .017 .001 .001 .002
	Si2(z) .6890 .1152 .6726 .71 .019 .019 .024 -.005 .010 -.005
	Al2(z) .6890 .1152 .6726 .29 .019 .019 .024 -.005 .010 -.005
	OA(1) .0028 .1347 .0009 .034 .041 .015 .001 .011 -.007
	OA(2) .6037 -.0012 .1468 .018 .019 .046 .015 .008 .000
	OB(O) .8287 .1308 .1100 .036 .043 .041 -.012 .020 -.007
	OB(z) .8128 .1329 .6134 .022 .051 .062 -.010 .024 .008
	OC(O) .0138 .3023 .1207 .024 .040 .027 -.005 .010 -.010
	OC(z) .0265 .3096 .6356 .034 .020 .058 -.019 .012 -.006
	OD(O) .1789 .1261 .1969 .042 .048 .036 .015 .010 -.002
	OD(z) .1983 .1217 .7015 .013 .046 .016 -.002 -.003 .008
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 700 C, single Pb atom model
	_database_code_amcsd 0002068
	8.448 13.057 7.166 90 115.25 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .2760 -.0041 .1404 .038 .130 .076 -.011 .016 -.011
	Si1 .0051 .1798 .2253 .71 .029 .032 .031 -.005 .012 .001
	Al1 .0051 .1798 .2253 .29 .029 .032 .031 -.005 .012 .001
	Si2 .6948 .1174 .3453 .71 .019 .024 .030 -.001 .007 -.001
	Al2 .6948 .1174 .3453 .29 .019 .024 .030 -.001 .007 -.001
	OA(1) 0 .1351 0 .049 .055 .029 0 .022 0
	OA(2) .6057 0 .2918 .030 .024 .066 0 .013 0
	OB .8203 .1334 .2243 .041 .063 .064 -.015 .025 -.001
	OC .0215 .3072 .2543 .041 .039 .066 -.011 .021 -.003
	OD .1899 .1248 .3983 .043 .060 .038 .006 .009 .002
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 20 C, split Pb atom model
	_database_code_amcsd 0002069
	8.402 13.043 14.308 90 115.30 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2698 -.0113 .0730 .74 .012 .040 .023 -.008 .005 -.001
	Pb" .2768 .0103 .0687 .26 .011 .080 .047 .009 .008 .004
	Si1(O) .0062 .1767 .1097 .71 .009 .013 .010 -.002 .004 -.000
	Al1(O) .0062 .1767 .1097 .29 .009 .013 .010 -.002 .004 -.000
	Si1(z) .0033 .1794 .6156 .71 .005 .012 .007 -.002 .001 -.000
	Al1(z) .0033 .1794 .6156 .29 .005 .012 .007 -.002 .001 -.000
	Si2(O) .6950 .1192 .1717 .71 .004 .009 .008 .000 .000 .000
	Al2(O) .6950 .1192 .1717 .29 .004 .009 .008 .000 .000 .000
	Si2(z) .6883 .1147 .6739 .71 .006 .010 .012 .000 .004 -.001
	Al2(z) .6883 .1147 .6739 .29 .006 .010 .012 .000 .004 -.001
	OA(1) .0041 .1342 .0012 .018 .024 .006 -.003 .005 .000
	OA(2) .5986 -.0011 .1470 .008 .010 .020 -.001 .001 .000
	OB(O) .8248 .1297 .1074 .011 .022 .024 -.003 .008 .000
	OB(z) .8144 .1311 .6170 .017 .025 .029 -.005 .013 .001
	OC(O) .0178 .3006 .1224 .012 .022 .020 -.005 .005 -.003
	OC(z) .0183 .3103 .6323 .021 .015 .018 -.009 .005 -.003
	OD(O) .1857 .1240 .1969 .013 .026 .011 .001 -.001 .002
	OD(z) .1987 .1212 .7010 .014 .021 .013 -.002 .000 .003
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 230 C, split Pb atom model
	_database_code_amcsd 0002070
	8.422 13.045 14.310 90 115.34 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2705 -.0136 .0726 .59 .021 .054 .034 -.013 .007 -.001
	Pb" .2787 .0089 .0686 .41 .019 .081 .061 .006 .012 .005
	Si1(O) .0059 .1777 .1100 .71 .016 .019 .012 -.004 .005 .001
	Al1(O) .0059 .1777 .1100 .29 .016 .019 .012 -.004 .005 .001
	Si1(z) .0039 .1798 .6158 .71 .011 .017 .013 -.003 .005 .001
	Al1(z) .0039 .1798 .6158 .29 .011 .017 .013 -.003 .005 .001
	Si2(O) .6959 .1194 .1714 .71 .013 .013 .015 .002 .002 .002
	Al2(O) .6959 .1194 .1714 .29 .013 .013 .015 .002 .002 .002
	Si2(z) .6901 .1148 .6732 .71 .008 .018 .015 -.003 .003 -.003
	Al2(z) .6901 .1148 .6732 .29 .008 .018 .015 -.003 .003 -.003
	OA(1) .0041 .1342 .0011 .029 .031 .014 -.001 .009 -.001
	OA(2) .6023 -.0016 .1462 .011 .016 .038 .000 .004 -.001
	OB(O) .8236 .1310 .1078 .017 .037 .029 -.008 .008 .001
	OB(z) .8153 .1320 .6159 .031 .039 .052 -.007 .028 .001
	OC(O) .0200 .3011 .1217 .020 .032 .026 -.008 .012 -.002
	OC(z) .0176 .3101 .6332 .026 .027 .036 -.010 .011 -.006
	OD(O) .1815 .1252 .1976 .028 .037 .022 .004 .005 -.001
	OD(z) .1982 .1208 .7011 .012 .035 .016 -.001 -.002 .005
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 465 C, split Pb atom model
	_database_code_amcsd 0002071
	8.440 13.051 14.325 90 115.33 90 I2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2703 -.0157 .0717 .44 .024 .063 .043 -.021 .010 -.005
	Pb" .2798 .0068 .0693 .56 .026 .098 .071 .004 .013 -.000
	Si1(O) .0061 .1786 .1095 .71 .024 .024 .019 -.004 .012 .000
	Al1(O) .0061 .1786 .1095 .29 .024 .024 .019 -.004 .012 .000
	Si1(z) .0039 .1802 .6160 .71 .011 .018 .014 -.006 .003 -.001
	Al1(z) .0039 .1802 .6160 .29 .011 .018 .014 -.006 .003 -.001
	Si2(O) .6980 .1194 .1727 .71 .006 .018 .017 .001 .001 .002
	Al2(O) .6980 .1194 .1727 .29 .006 .018 .017 .001 .001 .002
	Si2(z) .6890 .1152 .6726 .71 .019 .019 .024 -.005 .010 -.005
	Al2(z) .6890 .1152 .6726 .29 .019 .019 .024 -.005 .010 -.005
	OA(1) .0028 .1347 .0009 .034 .041 .015 .001 .011 -.007
	OA(2) .6037 -.0012 .1468 .018 .019 .046 .015 .008 .000
	OB(O) .8287 .1308 .1100 .036 .043 .041 -.012 .020 -.007
	OB(z) .8128 .1329 .6134 .022 .051 .062 -.010 .024 .008
	OC(O) .0138 .3023 .1207 .024 .040 .027 -.005 .010 -.010
	OC(z) .0265 .3096 .6356 .034 .020 .058 -.019 .012 -.006
	OD(O) .1789 .1261 .1969 .042 .048 .036 .015 .010 -.002
	OD(z) .1983 .1217 .7015 .013 .046 .016 -.002 -.003 .008
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	Feldspar
	Benna P, Tribaudino M, Bruno E
	American Mineralogist 84 (1999) 120-129
	High-temperature in situ structural investigation on lead feldspar
	Sample at T = 700 C, split Pb atom model
	_database_code_amcsd 0002072
	8.448 13.057 7.166 90 115.25 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb' .2771 -.0158 .1405 .5 .039 .083 .076 -.013 .016 -.003
	Pb" .2771 .0158 .1405 .5 .039 .083 .076 .013 .016 .003
	Si1 .0051 .1798 .2253 .71 .029 .032 .031 -.005 .012 .001
	Al1 .0051 .1798 .2253 .29 .029 .032 .031 -.005 .012 .001
	Si2 .6948 .1174 .3453 .71 .019 .024 .030 -.001 .007 -.001
	Al2 .6948 .1174 .3453 .29 .019 .024 .030 -.001 .007 -.001
	OA(1) 0 .1351 0 .049 .055 .029 0 .022 0
	OA(2) .6057 0 .2918 .030 .024 .066 0 .013 0
	OB .8203 .1334 .2243 .041 .063 .064 -.015 .025 -.001
	OC .0215 .3072 .2543 .041 .039 .066 -.011 .021 -.003
	OD .1899 .1248 .3983 .043 .060 .038 .006 .009 .002
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien1 T = 1038 deg C
	_database_code_amcsd 0002799
	9.773 8.962 5.271 90 108.99 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86851 .33792 .17346 .02453 .02270 .02279 .02392 .00603 .00185 -.00022
	O1B .37326 .84298 .13288 .02440 .01854 .03292 .02364 .00073 .00944 .00263
	O2A .12306 .49709 .33023 .03242 .03611 .02643 .03503 -.01207 .01199 -.01426
	O2B .62729 .98937 .37205 .04033 .03885 .03969 .04646 -.01300 .01940 -.00072
	O3A .10337 .26371 .58561 .03129 .01962 .03966 .03383 -.00139 .00765 .01987
	O3B .60188 .71307 .48527 .03133 .02920 .03944 .02786 .00495 .01272 .01246
	SiA .04316 .33983 .27886 .01932 .01836 .01747 .02239 -.00196 .00700 .00228
	SiB .54744 .84026 .24409 .02209 .01627 .02454 .02556 -.00322 .00695 -.00196
	Mg1 .24987 .65144 .23118 .02581 .02716 .02629 .02310 -.00454 .00695 .00247
	Mg2 .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479 .00308 .00362 .00580
	Ca2 .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479 .00308 .00362 .00580
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien1 T = 25 deg C
	_database_code_amcsd 0002800
	9.651 8.846 5.202 90 108.34 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86657 .33948 .17890 .00662 .00494 .00690 .00789 .00005 .00181 .00066
	O1B .37428 .83968 .12721 .00668 .00494 .00843 .00658 .00005 .00169 .00046
	O2A .12121 .50101 .32229 .00800 .00980 .00567 .00908 -.00218 .00377 -.00030
	O2B .63154 .98539 .38134 .01184 .01156 .00931 .01722 -.00530 .00822 -.00598
	O3A .10505 .27466 .60141 .01017 .00700 .01225 .01143 .00084 .00314 .00524
	O3B .60473 .70086 .46442 .01001 .00686 .01411 .00909 .00095 .00255 .00505
	SiA .04243 .34128 .28683 .00555 .00529 .00501 .00701 -.00049 .00286 -.00051
	SiB .55079 .83814 .23243 .00561 .00533 .00528 .00662 -.00079 .00245 -.00065
	Mg1 .25088 .65386 .22278 .00694 .00693 .00705 .00690 -.00003 .00227 .00070
	Mg2 .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911 .00380 .00257 .00467
	Ca2 .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911 .00380 .00257 .00467
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien2, T = 25 deg C
	_database_code_amcsd 0002801
	9.651 8.846 5.202 90 108.38 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86654 .33948 .17873 .00580 .00462 .00691 .00576 -.00039 .00148 .00063
	O1B .37433 .83963 .12772 .00613 .00485 .00782 .00577 .00024 .00173 -.00011
	O2A .12099 .50111 .32199 .00696 .00807 .00544 .00744 -.00177 .00256 .00011
	O2B .63185 .98529 .38213 .01077 .01096 .00879 .01507 -.00394 .00770 -.00468
	O3A .10514 .27488 .60177 .00895 .00587 .01133 .00964 .00057 .00245 .00488
	O3B .60463 .70100 .46426 .00940 .00656 .01388 .00809 .00099 .00278 .00498
	SiA .04237 .34128 .28684 .00476 .00442 .00493 .00526 -.00039 .00200 -.00029
	SiB .55077 .83808 .23258 .00481 .00489 .00454 .00537 -.00092 .00216 -.00110
	Mg1 .25087 .65381 .22287 .00589 .00619 .00638 .00485 .00042 .00140 .00081
	Mg2 .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807 .00389 .00217 .00436
	Ca2 .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807 .00389 .00217 .00436
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien2, T = 500 deg C
	_database_code_amcsd 0002802
	9.702 8.903 5.228 90 108.58 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86787 .33936 .17583 .01344 .01116 .01636 .01215 .00051 .00277 .00092
	O1B .37361 .84055 .12950 .01439 .01158 .01779 .01337 .00056 .00339 -.00113
	O2A .12166 .49977 .32593 .01669 .01970 .01221 .01864 -.00565 .00678 -.00106
	O2B .63063 .98561 .37802 .02159 .02271 .01862 .02613 -.00892 .01157 -.00709
	O3A .10420 .27096 .59479 .01976 .01449 .02546 .01936 -.00050 .00543 .00943
	O3B .60331 .70554 .47150 .01895 .01617 .02381 .01785 .00308 .00678 .00876
	SiA .04254 .34090 .28445 .01075 .01050 .01105 .01145 -.00124 .00454 -.00106
	SiB .54985 .83826 .23615 .01066 .01050 .01029 .01172 -.00119 .00429 -.00072
	Mg1 .25060 .65285 .22641 .01490 .01596 .01404 .01463 .00035 .00480 .00053
	Mg2 .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646 .00507 .00394 .00404
	Ca2 .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646 .00507 .00394 .00404
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien2, T = 650 deg C
	_database_code_amcsd 0002803
	9.713 8.913 5.234 90 108.64 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86807 .33954 .17543 .01717 .01259 .02205 .01565 -.00213 .00282 -.00038
	O1B .37321 .84096 .13015 .01491 .01344 .01662 .01427 .00024 .00386 -.00023
	O2A .12149 .49930 .32662 .02036 .02458 .01618 .02138 -.00751 .00883 -.00333
	O2B .63021 .98629 .37674 .02326 .02393 .01912 .02850 -.00742 .01085 -.00684
	O3A .10371 .27021 .59168 .02110 .01794 .02438 .02033 -.00114 .00521 .00996
	O3B .60314 .70639 .47337 .01973 .01803 .02328 .01792 .00399 .00582 .00860
	SiA .04250 .34052 .28366 .01172 .01182 .01240 .01091 -.00126 .00359 -.00098
	SiB .54963 .83857 .23700 .01133 .01181 .01040 .01178 -.00170 .00377 -.00118
	Mg1 .25025 .65276 .22705 .01589 .01807 .01629 .01330 .00098 .00501 .00100
	Mg2 .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676 .00475 .00326 .00277
	Ca2 .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676 .00475 .00326 .00277
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien2, T = 800 deg C
	_database_code_amcsd 0002804
	9.739 8.936 5.249 90 108.80 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86828 .33961 .17249 .01942 .01595 .02406 .01797 .00094 .00505 .00149
	O1B .37346 .84123 .13248 .01912 .01476 .02284 .01853 .00146 .00368 -.00057
	O2A .12164 .49858 .32875 .02349 .02631 .01887 .02612 -.00863 .00961 -.00341
	O2B .62975 .98637 .37552 .02678 .03137 .02224 .02992 -.00943 .01431 -.00841
	O3A .10313 .26764 .58800 .02651 .02048 .03486 .02415 -.00056 .00716 .01199
	O3B .60222 .70925 .47905 .02480 .02226 .03067 .02337 .00350 .00998 .01248
	SiA .04294 .34079 .28246 .01375 .01284 .01520 .01384 -.00107 .00518 -.00056
	SiB .54865 .83882 .23917 .01385 .01469 .01415 .01394 -.00138 .00632 -.00078
	Mg1 .25051 .65217 .22924 .02020 .02213 .02058 .01778 .00014 .00625 .00025
	Mg2 .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157 .00622 .00470 .00261
	Ca2 .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157 .00622 .00470 .00261
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	Clinoenstatite
	Tribaudino M, Nestola F, Camara F, Domeneghetti M C
	American Mineralogist 87 (2002) 648-657
	The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
	(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
	Sample: dien2, T = 1000 deg C
	_database_code_amcsd 0002805
	9.752 8.949 5.255 90 108.84 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O1A .86862 .33890 .17197 .02075 .01655 .02735 .01874 .00345 .00625 .00100
	O1B .37311 .84175 .13310 .02136 .01986 .02434 .02009 .00202 .00674 .00018
	O2A .12226 .49844 .33087 .02613 .02956 .01942 .03102 -.00833 .01199 -.00410
	O2B .62858 .98692 .37344 .03082 .03185 .02848 .03628 -.01373 .01675 -.00999
	O3A .10324 .26674 .58704 .02842 .02092 .03935 .02482 .00030 .00715 .01704
	O3B .60230 .71138 .48337 .02867 .02675 .03591 .02514 .00777 .01085 .01352
	SiA .04317 .34038 .28182 .01524 .01501 .01670 .01515 -.00186 .00645 -.00167
	SiB .54817 .83878 .24048 .01576 .01547 .01633 .01619 -.00176 .00609 -.00152
	Mg1 .25048 .65186 .23090 .02196 .02398 .02230 .01975 -.00015 .00728 .00060
	Mg2 .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357 .00768 .00606 .00239
	Ca2 .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357 .00768 .00606 .00239
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	Pigeonite
	Nestola F, Tribaudino M, Ballaran T B
	American Mineralogist 89 (2004) 189-196
	High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite
	Sample: P = 0 GPa
	_database_code_amcsd 0003197
	9.646 8.842 5.201 90 108.35 90 P2_1/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2 .2553 .0174 .2223 .85 1.7 .0210 .0196 .0174 .0043 -.0059 .0042
	CaM2 .2553 .0174 .2223 .15 1.7 .0210 .0196 .0174 .0043 -.0059 .0042
	MgM1 .2509 .6538 .2217 .71
	SiTA .0424 .3409 .2873 .62
	SiTB .5505 .8378 .2329 .65
	O1A .8671 .3394 .178 .78
	O2A .1207 .5016 .324 .79
	O3A .1067 .2738 .600 .80
	O1B .3739 .8398 .128 .79
	O2B .6307 .9852 .381 1.26
	O3B .6047 .7009 .467 1.03
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	Pigeonite
	Nestola F, Tribaudino M, Ballaran T B
	American Mineralogist 89 (2004) 189-196
	High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite
	Sample: P = 2.6 GPa
	_database_code_amcsd 0003198
	9.546 8.732 5.149 90 108.12 90 P2_1/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2 .2562 .0196 .2202 .85 1.1 .0117 .0192 .0110 .0062 .0053 .0040
	CaM2 .2562 .0196 .2202 .15 1.1 .0117 .0192 .0110 .0062 .0053 .0040
	MgM1 .2504 .6552 .2216 .75
	SiTA .0422 .3415 .2862 .66
	SiTB .5520 .8387 .2281 .72
	O1A .8656 .3394 .182 .79
	O2A .1206 .5034 .319 .7
	O3A .1054 .2748 .600 1.0
	O1B .3735 .8383 .1265 .8
	O2B .6293 .9861 .382 1.3
	O3B .6062 .6986 .458 .9
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	Pigeonite
	Nestola F, Tribaudino M, Ballaran T B
	American Mineralogist 89 (2004) 189-196
	High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite
	Sample: P = 4.5 GPa
	_database_code_amcsd 0003199
	9.523 8.700 5.136 90 107.80 90 P2_1/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2 .2562 .0204 .2179 .85 1.2 .0150 .0158 .0106 .0020 -.0012 .0052
	CaM2 .2562 .0204 .2179 .15 1.2 .0150 .0158 .0106 .0020 -.0012 .0052
	MgM1 .2514 .6559 .2192 .63
	SiTA .0416 .3424 .2866 .54
	SiTB .5516 .8381 .2289 .57
	O1A .865 .3401 .182 .79
	O2A .1194 .5051 .318 .63
	O3A .1076 .2756 .603 .87
	O1B .3752 .8389 .124 .71
	O2B .6321 .9871 .383 1.03
	O3B .6086 .6961 .455 .87
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	Pigeonite
	Nestola F, Tribaudino M, Ballaran T B
	American Mineralogist 89 (2004) 189-196
	High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite
	Sample: P = 6.2 GPa
	_database_code_amcsd 0003200
	9.291 8.679 4.963 90 102.22 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2 0 .2789 .25 .85 .8 .0093 .0147 .0073 0 .0017 0
	CaM2 0 .2789 .25 .15 .8 .0093 .0147 .0073 0 .0017 0
	MgM1 0 .9065 .25 .55
	SiT .2976 .0918 .2139 .49
	O1 .1214 .0905 .139 .63
	O2 .3764 .2391 .364 .83
	O3 .3546 .0562 .925 .69
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 295 K
	_database_code_amcsd 0004307
	9.5531 8.6983 5.2684 90 107.629 90 C2/c
	atom x y z Uiso
	Na 0 .30038 .25 .0108
	Ga 0 .90189 .25 .00348
	Si .29116 .09112 .23220 .00314
	O1 .11188 .07804 .13365 .0044
	O2 .35874 .25894 .30170 .0062
	O3 .35265 .00957 .00787 .0055
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 235 K
	_database_code_amcsd 0004308
	9.5494 8.6924 5.2673 90 107.631 90 C2/c
	atom x y z Uiso
	Na 0 .30046 .25 .0090
	Ga 0 .90210 .25 .00294
	Si .29119 .09122 .23236 .00274
	O1 .11199 .07797 .13373 .0037
	O2 .35868 .25913 .30187 .0053
	O3 .35284 .00984 .00773 .0048
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 190 K
	_database_code_amcsd 0004309
	9.5472 8.6894 5.2667 90 107.632 90 C2/c
	atom x y z Uiso
	Na 0 .30051 .25 .0074
	Ga 0 .90219 .25 .00244
	Si .29119 .09127 .23241 .00237
	O1 .11191 .07803 .13350 .0032
	O2 .35878 .25935 .30219 .0046
	O3 .35285 .00980 .00769 .0041
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 145 K
	_database_code_amcsd 0004310
	9.5453 8.6864 5.2662 90 107.630 90 C2/c
	atom x y z Uiso
	Na 0 .30047 .25 .0062
	Ga 0 .90232 .25 .00201
	Si .29121 .09129 .23263 .00206
	O1 .11187 .07812 .13369 .0030
	O2 .35880 .25936 .30240 .0039
	O3 .35303 .00986 .00795 .0036
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 110 K
	_database_code_amcsd 0004311
	9.5442 8.6849 5.2662 90 107.628 90 C2/c
	atom x y z Uiso
	Na 0 .30058 .25 .0052
	Ga 0 .90238 .25 .00163
	Si .29125 .09128 .23264 .00183
	O1 .11190 .07820 .13385 .00276
	O2 .35882 .25945 .30267 .0034
	O3 .35297 .00994 .00775 .0032
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	Jadeite
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd100Ae0
	_database_code_amcsd 0004445
	9.4278 8.5651 5.2262 90 107.624 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .3002 .25 .0108 .0146 .0075 .0090 0 -.0006 0
	AlM1 0 .90604 .25 .0043 .0048 .0044 .0042 0 .0012 0
	SiT .29072 .09342 .22822 .00383 .0039 .0040 .0041 -.0003 .0010 -.0004
	O1 .1092 .0760 .1284 .0049 .0043 .0053 .0054 -.0004 .0009 -.0003
	O2 .3610 .2634 .2935 .0070 .0076 .0052 .0084 -.0020 .0022 -.0004
	O3 .3536 .0071 .0067 .0065 .0059 .0083 .0059 .0006 .0013 -.0025
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	Jadeite
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd74Ae26
	_database_code_amcsd 0004446
	9.4781 8.6180 5.2449 90 107.570 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .30029 .25 .0114 .0143 .0076 .0094 0 -.0008 0
	AlM1 0 .90369 .25 .74 .00494 .0050 .0047 .0050 0 .0012 0
	Fe3+M1 0 .90369 .25 .26 .00494 .0050 .0047 .0050 0 .0012 0
	SiT .29055 .09232 .22978 .00443 .0042 .0046 .0045 -.00024 .00125 -.00023
	O1 .11032 .07663 .1303 .0063 .0046 .0069 .0070 .0001 .0014 -.0001
	O2 .36029 .26139 .2952 .0078 .0094 .0052 .0085 -.0019 .0027 -.0007
	O3 .35324 .00755 .0075 .0068 .0062 .0085 .0057 .0001 .0019 -.0021
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	Aegirine
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd35Ae65
	_database_code_amcsd 0004447
	9.5663 8.7040 5.2733 90 107.600 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .29844 .25 .0118 .0140 .0095 .0086 0 -.0014 0
	AlM1 0 .90134 .25 .35 .00542 .0053 .0053 .0054 0 .00117 0
	Fe3+M1 0 .90134 .25 .65 .00542 .0053 .0053 .0054 0 .00117 0
	SiT .29075 .09083 .23362 .00500 .0046 .0053 .0051 -.00007 .00150 -.00021
	O1 .11233 .07785 .1345 .0078 .0052 .0086 .0094 .0006 .0018 -.0002
	O2 .35929 .25862 .2992 .0096 .0118 .0061 .0109 -.0020 .0033 -.0010
	O3 .35289 .00802 .0111 .0078 .0065 .0104 .0064 .0008 .0018 -.0021
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	Aegirine
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd0Ae100
	_database_code_amcsd 0004448
	9.6623 8.8000 5.2956 90 107.579 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .2961 .25 .0116 .0132 .0125 .0062 0 -.0031 .0000
	Fe3+M1 0 .89921 .25 .0049 .0052 .0046 .0051 0 .00039 0
	SiT .29115 .08942 .23765 .0049 .0046 .0047 .0054 -.0006 .0006 -.00022
	O1 .1146 .0789 .1393 .0067 .0052 .0080 .0070 -.0001 .0006 .0011
	O2 .3591 .2556 .3032 .0097 .0107 .0063 .0125 -.0033 .0033 -.0014
	O3 .3526 .0080 .0146 .0079 .0068 .0107 .0063 .000 .0009 -.0029
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	Jadeite
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd53Hd47
	_database_code_amcsd 0004449
	9.6031 8.7735 5.2656 90 106.725 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .30094 .25 .53 .0124 .0165 .0093 .0090 0 -.0001 0
	CaM2 0 .30094 .25 .47 .0124 .0165 .0093 .0090 0 -.0001 0
	FeM2' 0 .257 .25 .03 .007
	AlM1 0 .90504 .25 .52 .0074 .0075 .0080 .0065 0 .0019 0
	Fe2+M1 0 .90504 .25 .48 .0074 .0075 .0080 .0065 0 .0019 0
	SiT .28845 .09209 .22982 .0066 .0068 .0077 .0056 .0003 .0025 -.0011
	O1 .1126 .0808 .1366 .0143 .0069 .0191 .0168 .0024 .0030 -.0046
	O2 .3600 .2554 .3079 .0131 .0190 .0095 .0102 -.0004 .0032 -.0012
	O3 .3518 .0133 .0013 .0098 .0090 .0128 .0080 .0010 .0033 -.0022
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	Hedenbergite
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd24Hde76
	_database_code_amcsd 0004450
	9.7340 8.9103 5.2682 90 105.904 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .30061 .25 .24 .0114 .0137 .0090 .0092 0 -.0005 0
	CaM2 0 .30061 .25 .76 .0114 .0137 .0090 .0092 0 -.0005 0
	AlM1 0 .90603 .25 .24 .0075 .0074 .0073 .0071 0 .0009 0
	Fe2+M1 0 .90603 .25 .76 .0075 .0074 .0073 .0071 0 .0009 0
	SiT .28782 .09199 .2317 .0069 .0064 .0082 .0060 .0002 .0017 -.0006
	O1 .1165 .0853 .1451 .0142 .0095 .0203 .0129 .0016 .0031 -.0028
	O2 .3609 .2510 .3166 .0136 .0201 .0091 .0112 -.0007 .0035 -.0006
	O3 .3510 .0160 -.0016 .0099 .0094 .0128 .0076 .0002 .0026 -.0027
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	Hedenbergite
	Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
	American Mineralogist 92 (2007) 1492-1501
	The crystal structures of pyroxenes along the jadeite - hedenbergite and
	jadeite - aegirine joins
	Locality: synthetic
	Sample: Jd0Hd100
	_database_code_amcsd 0004451
	9.8447 9.0234 5.2509 90 104.862 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .30034 .25 .99 .00873 .0104 .0073 .0073 0 .0001 0
	FeM2' 0 .242 .25 .01 .0065
	Fe2+M1 0 .90741 .25 .00635 .0067 .0058 .0063 0 .0011 0
	SiT .28786 .09244 .23259 .0050 .0050 .0052 .0048 -.0002 .0012 -.0004
	O1 .1194 .0901 .1519 .0074 .0056 .0093 .0072 .0001 .0016 .0000
	O2 .3630 .2465 .3237 .0097 .0122 .0068 .0096 .0029 .0019 -.0010
	O3 .3502 .0198 -.0066 .0079 .0067 .0100 .0070 -.0001 .0017 -.0024
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	Melanophlogite
	Tribaudino M, Artoni A, Mavris C, Bersani D, Lottici P P, Belletti D
	American Mineralogist 93 (2008) 88-94
	Single-crystal X-ray and Raman investigation on melanophlogite from Varano
	Marchesi (Parma, Italy)
	Locality: Case Montanini, Varano Marchesi, Parma, Italy
	_database_code_amcsd 0004493
	13.399 13.399 13.399 90 90 90 Pm3n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 0 .31079 .11425 .0339 .0427 .0243 .0348 0 0 -.0066
	Si2 .18264 .18264 .18264 .0306 .0306 .0306 .0306 -.0048 -.0048 -.0048
	Si3 .25 0 .5 .0209 .0177 .0225 .0225 0 0 0
	O1 .09616 .24660 .13592 .0708 .0629 .0828 .0667 .0319 -.0101 .0123
	O2 0 .40601 .18121 .0895 .1690 .0387 .0609 0 0 -.0309
	O3 .34414 0 0 .0406 .0350 .0352 .0515 0 0 0
	O4 .25 .25 .25 .090 .0904 .0904 .0904 -.0370 -.0370 -.0370
	CH4-5 0 0 0 .71 .082 .082 .082 .082 0 0 0
	CH4-56 .5 0 .25 .91 .303 .368 .368 .174 0 0 0
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	Vesuvianite
	Pavese A, Prencipe M, Tribaudino M
	The Canadian Mineralogist 36 (1998) 1029-1037
	X-ray and neutron single-crystal study of P4/n vesuvianite
	Sample: neutron
	_database_code_amcsd 0005551
	15.532 15.532 11.821 90 90 90 *P4/n
	-.25 .25 0
	atom x y z occ Uiso
	Si1a .25 .75 0 .0066
	Si1b .75 .25 .5 .0087
	Si2a .6801 .4604 .1295 .0055
	Si2b .4590 .6803 .3710 .0039
	Si3a .3492 .4164 .1358 .0076
	Si3b .4163 .3495 .3639 .0081
	Ca1 .75 .25 .2520 .012
	Ca2a .5434 .3106 .1205 .0057
	Ca2b .3108 .5437 .3807 .0086
	Ca3a .6018 .6816 .1129 .019
	Ca3b .6819 .6013 .3872 .0178
	Ca4a .25 .25 .3523 .72 .0170
	Ca4b .25 .25 .15040 .28 .0170
	AlM1a .5 .5 0 .0127
	AlM1b .5 .5 .5 .0127
	AlM2a .3888 .6210 .1258 .75 .0068
	MgM2a .3888 .6210 .1258 .23 .0068
	FeM2a .3888 .6210 .1258 .02 .0068
	AlM2b .6208 .3872 .3743 .73 .0068
	MgM2b .6208 .3872 .3743 .25 .0068
	FeM2b .6208 .3872 .3743 .02 .0068
	FeM3a .25 .25 .0329 .70 .0159
	FeM3b .25 .25 .4691 .30 .0159
	H10a .75 .75 .2133 .21
	H10b .75 .75 .4448 .21
	H10c .75 .75 .2841 .21
	H11a .4961 .5603 .2179 .26
	H11b .5606 .4972 .2825 .26
	O1a .2791 .6727 .0845 .0083
	O1b .6728 .2800 .4146 .0049
	O2a .6594 .3824 .2215 .0067
	O2b .3828 .6604 .2776 .0088
	O3a .4517 .7221 .0763 .0076
	O3b .7225 .4523 .4243 .0064
	O4a .6065 .4382 .0311 .0075
	O4b .4374 .6066 .4710 .0061
	O5a .3294 .5143 .1785 .0095
	O5b .5146 .3297 .3222 .0079
	O6a .2712 .3796 .0597 .0124
	O6b .3802 .2714 .4405 .0108
	O7a .6726 .5555 .1780 .0075
	O7b .5550 .6734 .3202 .0097
	O8a .4386 .4092 .0657 .0065
	O8b .4092 .4394 .4328 .0079
	O9 .3550 .3553 .2485 .0069
	Oh10a .75 .75 .1330 .011
	Oh10b .75 .75 .3645 .011
	Oh11a .4961 .5603 .1375 .0077
	Oh11b .5606 .4972 .3628 .0091
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	Vesuvianite
	Pavese A, Prencipe M, Tribaudino M
	The Canadian Mineralogist 36 (1998) 1029-1037
	X-ray and neutron single-crystal study of P4/n vesuvianite
	Sample: X-ray
	_database_code_amcsd 0005552
	15.532 15.532 11.821 90 90 90 *P4/n
	-.25 .25 0
	atom x y z occ Uiso
	Si1a .25 .75 0 .0056
	Si1b .75 .25 .5 .0042
	Si2a .6814 .4602 .1303 .0058
	Si2b .4584 .6796 .3728 .0047
	Si3a .3488 .4129 .1342 .0065
	Si3b .4196 .3496 .3633 .0056
	Ca1 .75 .25 .2498 .0077
	Ca2a .5453 .3117 .1195 .0069
	Ca2b .3100 .5429 .3789 .0075
	Ca3a .5992 .6784 .1212 .0111
	Ca3b .6853 .6041 .3959 .0127
	Ca4a .25 .25 .3504 .85 .0080
	Ca4b .25 .25 .153 .15 .0080
	AlM1a .5 .5 0 .0056
	AlM1b .5 .5 .5 .0056
	AlM2a .3865 .6199 .1258 .75 .0029
	MgM2a .3865 .6199 .1258 .23 .0029
	FeM2a .3865 .6199 .1258 .02 .0029
	AlM2b .6228 .3893 .3730 .73 .0029
	MgM2b .6228 .3893 .3730 .25 .0029
	FeM2b .6228 .3893 .3730 .02 .0029
	FeM3a .25 .25 .0315 .85 .0117
	FeM3b .25 .25 .463 .15 .0117
	O1a .2785 .6725 .0856 .008
	O1b .6733 .2814 .4152 .006
	O2a .6619 .3840 .2231 .0053
	O2b .3819 .6576 .2822 .009
	O3a .4523 .7222 .0759 .008
	O3b .7224 .4514 .4251 .007
	O4a .6063 .4391 .0332 .008
	O4b .4374 .6054 .4724 .0074
	O5a .3273 .5105 .1775 .0089
	O5b .5179 .3315 .3196 .0075
	O6a .2719 .3753 .0573 .010
	O6b .3847 .2715 .4379 .011
	O7a .6755 .5562 .1825 .010
	O7b .5560 .6702 .3261 .0073
	O8a .4398 .4079 .0650 .008
	O8b .4092 .4391 .4314 .009
	O9 .3582 .3515 .2494 .0075
	OH10a .75 .75 .1275 .008
	OH10b .75 .75 .3569 .012
	OH11a .4953 .5600 .1367 .0085
	OH11b .5629 .4962 .3649 .0094
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	Diopside
	Prencipe M, Tribaudino M, Pavese A, Hoser A, Reehuis M
	The Canadian Mineralogist 38 (2000) 183-189
	A single-crystal neutron-diffraction investigation of diopside at 10 K
	_database_code_amcsd 0005645
	9.735 8.898 5.242 90 105.72 90 C2/c
	atom x y z Biso
	Ca2 0 .3020 .25 .26
	Mg1 0 .9085 .25 .11
	Si .2865 .0936 .2293 .08
	O1 .1155 .0880 .1425 .13
	O2 .3612 .2504 .3193 .18
	O3 .3510 .0180 .9946 .18
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	Spodumene
	Tribaudino M, Nestola F, Prencipe M, Rundlof H
	The Canadian Mineralogist 41 (2003) 521-527
	A single-crystal neutron-diffraction investigation of spodumene at 54 K
	Sample: T = 54 K, neutron radiation
	_database_code_amcsd 0005836
	9.504 8.371 5.204 90 110.33 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Li 0 .2735 .25 .0107 .012 .010 .010 0 .005 0
	Al 0 .9070 .25 .0031 .0021 .0040 .0031 0 .0009 0
	Si .2939 .0937 .2573 .0027 .0004 .0042 .0037 .0001 .0011 -.0001
	O1 .1097 .08265 .1413 .0036 .0009 .0058 .0043 .0003 .0012 .0003
	O2 .36461 .2674 .3001 .0043 .0024 .0054 .0059 -.0006 .0023 -.0001
	O3 .35656 -.0146 .0609 .0044 .0017 .0073 .0042 .0001 .0012 -.0015
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	Spodumene
	Tribaudino M, Nestola F, Prencipe M, Rundlof H
	The Canadian Mineralogist 41 (2003) 521-527
	A single-crystal neutron-diffraction investigation of spodumene at 54 K
	Sample: T = 298 K, X-ray radiation
	_database_code_amcsd 0005837
	9.479 8.403 5.223 90 110.14 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Li 0 .2741 .25 .0164 .0158 .0152 .0181 0 .0055 0
	Al 0 .90661 .25 .00457 .00411 .00444 .00494 0 .00129 0
	Si .29410 .09345 .25609 .00434 .00370 .00473 .00439 -.00062 .00115 -.00022
	O1 .10972 .08233 .14057 .00532 .00383 .00626 .00536 -.00037 .00092 .00015
	O2 .36476 .26704 .30051 .00812 .00823 .00595 .0107 -.00288 .00391 -.00093
	O3 .35664 -.01332 .05854 .00802 .00587 .0118 .00599 .00063 .00150 -.00316
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	Diopside
	Tribaudino M, Nestola F, Meneghini C
	The Canadian Mineralogist 43 (2005) 1411-1421
	Rietveld refinement of clinopyroxenes with intermediate
	Ca-content along the join diopside-enstatite
	Locality: synthetic
	Sample: Di80En20
	_database_code_amcsd 0006051
	9.7323 8.9152 5.2464 90 106.357 90 C2/c
	atom x y z occ Biso
	Ca2 0 .29449 .25 .80 .52
	Mg2 0 .29449 .25 .20 .52
	Mg1 0 .90659 .25 .47
	Si .28784 .09317 .23405 .39
	O1 .11572 .08818 .1442 .51
	O2 .36344 .24968 .3269 .41
	O3 .34865 .01881 -.0021 .65
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	Diopside
	Tribaudino M, Nestola F, Meneghini C
	The Canadian Mineralogist 43 (2005) 1411-1421
	Rietveld refinement of clinopyroxenes with intermediate
	Ca-content along the join diopside-enstatite
	Locality: synthetic
	Sample: Di70En30
	_database_code_amcsd 0006052
	9.7264 8.9133 5.2485 90 106.742 90 C2/c
	atom x y z occ Biso
	Ca2 0 .2885 .25 .70 1.14
	Mg2 0 .2885 .25 .30 1.14
	Mg1 0 .9053 .25 .47
	Si .28957 .09409 .2387 .39
	O1 .11741 .08969 .1468 .51
	O2 .36522 .25009 .3337 .35
	O3 .35009 .01811 .0030 .65
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	Diopside
	Tribaudino M, Nestola F, Meneghini C
	The Canadian Mineralogist 43 (2005) 1411-1421
	Rietveld refinement of clinopyroxenes with intermediate
	Ca-content along the join diopside-enstatite
	Locality: synthetic
	Sample: Di59En41
	_database_code_amcsd 0006053
	9.7110 8.8935 5.2452 90 107.278 90 C2/c
	atom x y z occ Biso
	Ca2 0 .2839 .25 .59 1.33
	Mg2 0 .2839 .25 .41 1.33
	Mg1 0 .9068 .25 .47
	Si .2902 .0929 .2444 .39
	O1 .1168 .08933 .1445 .51
	O2 .3665 .25055 .3301 .73
	O3 .3514 .02117 .0077 .65
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	Enstatite
	Tribaudino M, Nestola F, Meneghini C
	The Canadian Mineralogist 43 (2005) 1411-1421
	Rietveld refinement of clinopyroxenes with intermediate
	Ca-content along the join diopside-enstatite
	Locality: synthetic
	Sample: Di40En60
	_database_code_amcsd 0006054
	9.7042 8.8805 5.2423 90 108.084 90 P2_1/c
	atom x y z occ Biso
	Ca2 .2546 .0244 .2309 .40 .66
	Mg2 .2546 .0244 .2309 .60 .66
	Mg1 .2515 .6543 .2411 .62
	SiA .0411 .3449 .2730 .58
	O1A .8655 .3360 .1522 .51
	O2A .1091 .5109 .3087 .80
	O3A .0933 .2675 .5723 1.31
	SiB .5522 .8429 .2484 .67
	O1B .3771 .8372 .1442 .79
	O2B .6314 .9937 .3826 1.32
	O3B .6009 .7116 .4836 1.12
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	Enstatite
	Tribaudino M, Nestola F, Meneghini C
	The Canadian Mineralogist 43 (2005) 1411-1421
	Rietveld refinement of clinopyroxenes with intermediate
	Ca-content along the join diopside-enstatite
	Locality: synthetic
	Sample: Di20En80
	_database_code_amcsd 0006055
	9.6655 8.8534 5.2138 90 108.349 90 P2_1/c
	atom x y z occ Biso
	Ca2 .2555 .0186 .2279 .20 .34
	Mg2 .2555 .0186 .2279 .80 .34
	Mg1 .2517 .6536 .2275 .62
	SiA .0420 .3418 .2842 .58
	O1A .8664 .3392 .1764 .51
	O2A .1159 .5042 .3169 .80
	O3A .1038 .2746 .5941 1.31
	SiB .5498 .8392 .2301 .67
	O1B .3738 .8356 .1305 .79
	O2B .6332 .9847 .3803 1.32
	O3B .6067 .7064 .4677 1.12
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	Diopside
	Tribaudino M, Molin G M, Bruno E
	European Journal of Mineralogy 6 (1994) 77-86
	Effect of Al on enstatite solubility in CMAS clinopyroxenes:
	2 - Crystal chemical considerations
	Sample: Di75En10CaTs15
	_database_code_amcsd 0006528
	9.707 8.863 5.267 90 106.27 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3011 .25 .45 1.16
	MgM2 0 .3011 .25 .05 1.16
	MgM1 0 .9079 .25 .86 .81
	AlM1 0 .9079 .25 .14 .81
	AlT .2875 .0934 .2294 .075 .78
	SiT .2875 .0934 .2294 .925 .78
	O1 .1143 .0866 .1390 .98
	O2 .3627 .2523 .3212 1.19
	O3 .3518 .0184 .9947 1.03
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	Diopside
	Tribaudino M, Molin G M, Bruno E
	European Journal of Mineralogy 6 (1994) 77-86
	Effect of Al on enstatite solubility in CMAS clinopyroxenes:
	2 - Crystal chemical considerations
	Sample: Di75En10CaTs15, split M2 atom model
	_database_code_amcsd 0006529
	9.707 8.863 5.267 90 106.27 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3021 .25 .5 1.02
	MgM2' 0 .2620 .25 .1 2.71
	CaM2' 0 .2620 .25 .4 2.71
	MgM1 0 .9079 .25 .86 .81
	AlM1 0 .9079 .25 .14 .81
	AlT .2875 .0934 .2294 .075 .78
	SiT .2875 .0934 .2294 .925 .78
	O1 .1143 .0866 .1390 .98
	O2 .3627 .2523 .3212 1.19
	O3 .3518 .0184 .9947 1.03
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	Diopside
	Tribaudino M, Molin G M, Bruno E
	European Journal of Mineralogy 6 (1994) 77-86
	Effect of Al on enstatite solubility in CMAS clinopyroxenes:
	2 - Crystal chemical considerations
	Sample: Di65En20CaTs15
	_database_code_amcsd 0006530
	9.700 8.861 5.258 90 106.47 90 C2/c
	atom x y z occ Biso
	CaM2 0 .2990 .25 .8 1.19
	MgM2 0 .2990 .25 .2 1.19
	MgM1 0 .9075 .25 .83 .62
	AlM1 0 .9075 .25 .17 .62
	AlT .2884 .0932 .2322 .075 .69
	SiT .2884 .0932 .2322 .925 .69
	O1 .1148 .0870 .1398 .88
	O2 .3637 .2518 .3253 1.17
	O3 .3517 .0194 .9968 1.02
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	Diopside
	Tribaudino M, Molin G M, Bruno E
	European Journal of Mineralogy 6 (1994) 77-86
	Effect of Al on enstatite solubility in CMAS clinopyroxenes:
	2 - Crystal chemical considerations
	Sample: Di65En20CaTs15, split M2 model
	_database_code_amcsd 0006531
	9.700 8.861 5.258 90 106.47 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3013 .25 .5 .89
	CaM2' 0 .2623 .25 .3 2.53
	MgM2' 0 .2623 .25 .2 2.53
	MgM1 0 .9075 .25 .83 .62
	AlM1 0 .9075 .25 .17 .62
	AlT .2884 .0932 .2322 .075 .69
	SiT .2884 .0932 .2322 .925 .69
	O1 .1148 .0870 .1398 .88
	O2 .3637 .2518 .3253 1.17
	O3 .3517 .0194 .9968 1.02
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	Diopside
	Tribaudino M, Molin G M, Bruno E
	European Journal of Mineralogy 6 (1994) 77-86
	Effect of Al on enstatite solubility in CMAS clinopyroxenes:
	2 - Crystal chemical considerations
	Sample: Di70CaTs30
	_database_code_amcsd 0006532
	9.687 8.832 5.268 90 106.18 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3034 .25 .81
	MgM1 0 .9084 .25 .7 .50
	AlM1 0 .9084 .25 .3 .50
	AlT .2871 .0939 .2258 .15 .40
	SiT .2871 .0939 .2258 .85 .40
	O1 .1124 .0857 .1358 .77
	O2 .3622 .2551 .3176 .91
	O3 .3526 .0182 .9923 .71
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	Diopside
	Tribaudino M
	European Journal of Mineralogy 8 (1996) 273-279
	High-temperature crystal chemistry of C2/c clinopyroxenes along
	the join CaMgSi2O6-CaAl2SiO6
	Sample: Di70CaTs30 at 25 C
	_database_code_amcsd 0006622
	9.680 8.828 5.268 90 106.16 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .3034 .25 .72 .0120 .0072 .0065 0 .0006 0
	MgM1 0 .9083 .25 .7 .41 .0055 .0052 .0043 0 .0007 0
	AlM1 0 .9083 .25 .3 .41 .0055 .0052 .0043 0 .0007 0
	AlT .2871 .0939 .2258 .15 .33 .0041 .0043 .0041 .0000 .0012 -.0006
	SiT .2871 .0939 .2258 .85 .33 .0041 .0043 .0041 .0000 .0012 -.0006
	O1 .1127 .0857 .1363 .66 .0040 .0106 .0108 .0011 .0028 .0011
	O2 .3620 .2552 .3181 .80 .0123 .0091 .0092 -.0007 .0030 -.0014
	O3 .3524 .0184 -.0080 .62 .0063 .0092 .0078 .0000 .0019 -.0039
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	Diopside
	Tribaudino M
	European Journal of Mineralogy 8 (1996) 273-279
	High-temperature crystal chemistry of C2/c clinopyroxenes along
	the join CaMgSi2O6-CaAl2SiO6
	Sample: Di70CaTs30 at 300 C
	_database_code_amcsd 0006623
	9.703 8.863 5.281 90 106.24 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .3029 .25 1.26 .0212 .0120 .0118 0 .0000 0
	MgM1 0 .9077 .25 .7 .76 .0104 .0097 .0081 0 .0014 0
	AlM1 0 .9077 .25 .3 .76 .0104 .0097 .0081 0 .0014 0
	AlT .2871 .0937 .2257 .15 .58 .0070 .0080 .0070 -.0001 .0019 -.0006
	SiT .2871 .0937 .2257 .85 .58 .0070 .0080 .0070 -.0001 .0019 -.0006
	O1 .1126 .0853 .1368 1.02 .0066 .0182 .0138 .0008 .0029 -.0009
	O2 .3622 .2542 .3166 1.26 .0192 .0131 .0149 -.0027 .0034 -.0013
	O3 .3518 .0173 -.0065 1.01 .0096 .0172 .0117 .0051 .0033 -.0047
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	Diopside
	Tribaudino M
	European Journal of Mineralogy 8 (1996) 273-279
	High-temperature crystal chemistry of C2/c clinopyroxenes along
	the join CaMgSi2O6-CaAl2SiO6
	Sample: Di70CaTs30 at 500 C
	_database_code_amcsd 0006624
	9.717 8.886 5.288 90 106.29 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .3027 .25 1.62 .0269 .0155 .0152 0 -.0003 0
	MgM1 0 .9074 .25 .7 .98 .0128 .0132 .0106 0 .0021 0
	AlM1 0 .9074 .25 .3 .98 .0128 .0132 .0106 0 .0021 0
	AlT .2870 .0935 .2256 .15 .75 .0085 .0104 .0093 -.0003 .0022 -.0009
	SiT .2870 .0935 .2256 .85 .75 .0085 .0104 .0093 -.0003 .0022 -.0009
	O1 .1126 .0854 .1361 1.26 .0092 .0219 .0166 .0009 .0036 -.0016
	O2 .3619 .2536 .3159 1.62 .0247 .0163 .0198 -.0043 .0048 -.0016
	O3 .3515 .0169 -.0063 1.26 .0122 .0207 .0147 -.0002 .0036 -.0058
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	Diopside
	Tribaudino M
	European Journal of Mineralogy 8 (1996) 273-279
	High-temperature crystal chemistry of C2/c clinopyroxenes along
	the join CaMgSi2O6-CaAl2SiO6
	Sample: Di70CaTs30 at 700 C
	_database_code_amcsd 0006625
	9.733 8.909 5.296 90 106.35 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .3026 .25 2.01 .0341 .0190 .0180 0 -.0009 0
	MgM1 0 .9071 .25 .7 1.25 .0174 .0160 .0129 0 .0024 0
	AlM1 0 .9071 .25 .3 1.25 .0174 .0160 .0129 0 .0024 0
	AlT .2870 .0933 .2256 .15 .93 .0107 .0132 .0110 -.0003 .0026 -.0013
	SiT .2870 .0933 .2256 .85 .93 .0107 .0132 .0110 -.0003 .0026 -.0013
	O1 .1130 .0853 .1367 1.48 .0102 .0249 .0206 .0012 .0035 -.0002
	O2 .3617 .2528 .3148 1.99 .0307 .0198 .0244 -.0055 .0066 -.0025
	O3 .3514 .0159 -.0053 1.54 .0154 .0253 .0177 .0000 .0042 -.0080
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	Diopside
	Tribaudino M
	European Journal of Mineralogy 8 (1996) 273-279
	High-temperature crystal chemistry of C2/c clinopyroxenes along
	the join CaMgSi2O6-CaAl2SiO6
	Sample: Di50CaTs50 at 700 C
	Note: coordinates for O3 were altered by the author May, 2003
	_database_code_amcsd 0006626
	9.697 8.850 5.306 90 106.39 90 C2/c
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 0 .3040 .25 2.08 .0321 .0214 .0219 0 .0010 0
	MgM1 0 .9079 .25 .5 1.40 .0177 .0185 .0161 0 .0032 0
	AlM1 0 .9079 .25 .5 1.40 .0177 .0185 .0161 0 .0032 0
	AlT .2872 .0939 .2218 .25 1.16 .0115 .0178 .0142 -.0004 .0023 -.0020
	SiT .2872 .0939 .2218 .75 1.16 .0115 .0178 .0142 -.0004 .0023 -.0020
	O1 .1102 .0845 .1319 1.91 .0146 .0301 .0272 .0015 .0046 .0015
	O2 .3617 .2552 .3146 2.24 .0341 .0254 .0269 -.0071 .0105 -.0044
	O3 .3512 .0145 -.0104 1.78 .0174 .0258 .0239 .0021 .0048 -.0088
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	Enstatite
	Tribaudino M, Nestola F
	European Journal of Mineralogy 14 (2002) 549-555
	Average and local structure in P2_1/c clinopyroxenes along the
	join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: Di15En85 (non-split model)
	Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003
	_database_code_amcsd 0006929
	9.654 8.845 5.203 90 108.37 90 P2_1/c
	atom x y z occ Biso
	CaM2 .25555 .01762 .2216 .15 .94
	MgM2 .25555 .01762 .2216 .85 .94
	MgM1 .25081 .65383 .2228 .490
	SiTA .04241 .34125 .28688 .392
	SiTB .55077 .83805 .23261 .410
	O1A .8665 .3397 .1791 .46
	O2A .1212 .5012 .3221 .57
	O3A .1053 .2751 .6023 .74
	O1B .3745 .8396 .1273 .51
	O2B .6319 .9851 .3825 .83
	O3B .6047 .7006 .4646 .73
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	Enstatite
	Tribaudino M, Nestola F
	European Journal of Mineralogy 14 (2002) 549-555
	Average and local structure in P2_1/c clinopyroxenes along the
	join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: Di15En85 (split model)
	_database_code_amcsd 0006930
	9.654 8.845 5.203 90 108.37 90 P2_1/c
	atom x y z occ Biso
	CaM2 .2636 .0395 .238 .15 .65
	MgM2 .2535 .0122 .2176 .85 .56
	MgM1 .25085 .65377 .2229 .485
	SiTA .04243 .34123 .28681 .390
	SiTB .55078 .83804 .23258 .403
	O1A .8665 .3395 .1792 .46
	O2A .1211 .5012 .3221 .57
	O3A* .1060 .2772 .6070 .85 .52
	O3A** .0996 .258 .566 .15 .52
	O1B .3746 .8395 .1275 .52
	O2B* .6337 .9836 .3878 .85 .50
	O2B** .6121 1.0003 .328 .15 .50
	O3B* .6044 .6977 .4612 .85 .53
	O3B** .6075 .778 -.010 .15 .53
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	Enstatite
	Tribaudino M, Nestola F
	European Journal of Mineralogy 14 (2002) 549-555
	Average and local structure in P2_1/c clinopyroxenes along the
	join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: Di23En77 (non-split model)
	_database_code_amcsd 0006931
	9.690 8.862 5.229 90 108.31 90 P2_1/c
	atom x y z occ Biso
	CaM2 .2546 .0222 .2285 .23 1.36
	MgM2 .2546 .0222 .2285 .77 1.36
	MgM1 .2505 .6539 .2284 .62
	SiTA .0415 .3417 .2782 .58
	SiTB .5484 .8391 .2348 .67
	O1A .8665 .3396 .1719 .51
	O2A .1183 .5019 .3215 .80
	O3A .1049 .2679 .5874 1.31
	O1B .3727 .8384 .1313 .79
	O2B .6286 .9883 .3714 1.32
	O3B .6048 .7092 .4760 1.12
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	Enstatite
	Tribaudino M, Nestola F
	European Journal of Mineralogy 14 (2002) 549-555
	Average and local structure in P2_1/c clinopyroxenes along the
	join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: Di23En77 (split model)
	_database_code_amcsd 0006932
	9.690 8.862 5.229 90 108.31 90 P2_1/c
	atom x y z occ Biso
	CaM2 .2613 .0452 .246 .23 .8
	MgM2 .2518 .0127 .2210 .77 .65
	MgM1 .2504 .6538 .2283 .63
	SiTA .0415 .3416 .2782 .58
	SiTB .5484 .8391 .2348 .61
	O1A .8665 .3395 .1719 .50
	O2A .1183 .5021 .3220 .81
	O3A* .1052 .2735 .596 .85 .69
	O3A** .103 .244 .548 .15 .69
	O1B .3727 .8384 .1312 .78
	O2B* .6319 .9853 .384 .85 .75
	O2B** .614 1.002 .318 .15 .75
	O3B* .6022 .7042 .468 .85 .64
	O3B** .615 .771 .009 .15 .64
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	Enstatite
	Nestola F, Tribaudino M
	European Journal of Mineralogy 15 (2003) 365-371
	The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: D4En96
	_database_code_amcsd 0006978
	18.262 8.826 5.192 90 90 90 Pbca
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 .37699 .48508 .3610 .04 .64 .0083 .0111 .0052 -.0019 -.0014 -.0010
	MgM2 .37699 .48508 .3610 .96 .64 .0083 .0111 .0052 -.0019 -.0014 -.0010
	MgM1 .37567 .65400 .8670 .46 .0065 .0070 .0043 .0000 -.0004 .0002
	SiTA .27150 .34160 .04923 .36 .0044 .0056 .0036 -.0004 .0004 -.0001
	SiTB .47405 .33774 .79770 .37 .0045 .0058 .0036 .0002 -.0002 .0003
	O1A .18335 .3400 .0353 .42 .0042 .0076 .0042 .0001 .0003 .0006
	O2A .31062 .5024 .0437 .55 .0078 .0070 .0059 -.0013 -.0002 .0009
	O3A .30274 .2240 .8283 .57 .0062 .0098 .0055 -.0000 .0001 -.0029
	O1B .56272 .3402 .7996 .47 .0040 .0085 .0054 -.0008 -.0011 .0002
	O2B .43341 .4842 .6915 .62 .0080 .0087 .0070 .0026 .0007 .0021
	O3B .44770 .1973 .6008 .58 .0064 .0104 .0051 -.0011 .0004 -.0028
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	Enstatite
	Nestola F, Tribaudino M
	European Journal of Mineralogy 15 (2003) 365-371
	The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
	Sample: D7E93
	_database_code_amcsd 0006979
	18.268 8.836 5.196 90 90 90 Pbca
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaM2 .37693 .48464 .36224 .07 .837 .0098 .0140 .0081 -.0025 -.0015 -.0014
	MgM2 .37693 .48464 .36224 .93 .837 .0098 .0140 .0081 -.0025 -.0015 -.0014
	MgM1 .37567 .65402 .86809 .579 .0075 .0079 .0066 -.0000 -.0006 .0004
	SiTA .27143 .34156 .04927 .476 .0058 .0062 .0061 -.00044 .00063 -.00026
	SiTB .47421 .33784 .79691 .475 .0057 .0064 .0059 .00047 .00005 .00038
	O1A .18336 .33982 .0362 .564 .0054 .0081 .0080 .0001 .0005 -.0003
	O2A .31067 .50190 .0439 .654 .0089 .0069 .0090 -.0019 -.0003 .0012
	O3A .30277 .22461 .8285 .726 .0076 .0113 .0087 .0002 .0010 -.0038
	O1B .56275 .34024 .7990 .582 .0057 .0086 .0077 -.0001 -.0002 .0002
	O2B .43344 .48436 .6920 .803 .0112 .0089 .0104 .0034 .0013 .0021
	O3B .44770 .19840 .5986 .704 .0081 .0112 .0074 -.0008 .0000 -.0027
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	Diopside
	Tribaudino M, Nestola F, Ohashi H
	European Journal of Mineralogy 17 (2005) 297-304
	High temperature single crystal investigation in a clinopyroxene of
	composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
	Sample: T = 25 C, 2-theta <= 110
	Note: Sample is exactly intermediate between diopside and kosmochlor
	_database_code_amcsd 0007093
	9.658 8.834 5.263 90 106.46 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .30199 .25 .5 .01139 .0136 .0084 .0095 0 -.0011 0
	CaM2 0 .30199 .25 .5 .01139 .0136 .0084 .0095 0 -.0011 0
	CrM1 0 .9065 .25 .5 .00584 .0060 .0077 .0056 0 .00097 0
	MgM1 0 .9065 .25 .5 .00584 .0060 .0077 .0056 0 .00097 0
	Si .28874 .09238 .23022 .00556 .0060 .0087 .0065 .00016 -.00134 -.00023
	O1 .11426 .08212 .1390 .0081 .006 .012 .011 .0002 .0011 -.0010
	O2 .36006 .25412 .3103 .0096 .014 .011 .008 -.0024 .0025 -.0011
	O3 .35172 .01425 .9999 .0082 .007 .007 .008 .0002 .0020 -.0023
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	Diopside
	Tribaudino M, Nestola F, Ohashi H
	European Journal of Mineralogy 17 (2005) 297-304
	High temperature single crystal investigation in a clinopyroxene of
	composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
	Sample: T = 25 C, 2-theta <= 50
	Note: Sample is exactly intermediate between diopside and kosmochlor
	Note: a cell edge corrected
	_database_code_amcsd 0007094
	9.656 8.833 5.262 90 106.5281 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .3015 .25 .5 .0137 .0173 .011 .011 0 .0007 0
	CaM2 0 .3015 .25 .5 .0137 .0173 .011 .011 0 .0007 0
	CrM1 0 .9065 .25 .5 .0065 .0060 .0077 .0056 0 .0013 0
	MgM1 0 .9065 .25 .5 .0065 .0060 .0077 .0056 0 .0013 0
	Si .2889 .0924 .2301 .0070 .0060 .0087 .0065 -.0002 .0023 -.0007
	O1 .1141 .0818 .1383 .0093 .006 .012 .011 .001 .003 -.000
	O2 .3602 .2542 .3102 .0108 .014 .011 .008 -.003 .004 -.001
	O3 .3520 .0138 .0006 .0082 .007 .007 .008 .000 .003 -.002
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	Diopside
	Tribaudino M, Nestola F, Ohashi H
	European Journal of Mineralogy 17 (2005) 297-304
	High temperature single crystal investigation in a clinopyroxene of
	composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
	Sample: T = 200 C, 2-theta <= 50
	Note: Sample is exactly intermediate between diopside and kosmochlor
	_database_code_amcsd 0007095
	9.666 8.850 5.267 90 106.53 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .3014 .25 .5 .0188 .023 .016 .015 0 .000 0
	CaM2 0 .3014 .25 .5 .0188 .023 .016 .015 0 .000 0
	CrM1 0 .9064 .25 .5 .0093 .0084 .012 .0074 0 .0015 0
	MgM1 0 .9064 .25 .5 .0093 .0084 .012 .0074 0 .0015 0
	Si .2888 .0922 .2304 .0082 .0084 .0097 .0068 .0005 .0029 -.0009
	O1 .1144 .0807 .1396 .0124 .008 .019 .011 -.001 .003 .000
	O2 .3603 .2535 .3088 .015 .016 .015 .014 -.003 .006 -.003
	O3 .3515 .0125 .0012 .0112 .012 .013 .010 -.001 .005 -.003
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	Diopside
	Tribaudino M, Nestola F, Ohashi H
	European Journal of Mineralogy 17 (2005) 297-304
	High temperature single crystal investigation in a clinopyroxene of
	composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
	Sample: T = 400 C, 2-theta <= 50
	Note: Sample is exactly intermediate between diopside and kosmochlor
	_database_code_amcsd 0007096
	9.682 8.874 5.274 90 106.53 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .3015 .25 .5 .0254 .033 .019 .019 0 .000 0
	CaM2 0 .3015 .25 .5 .0254 .033 .019 .019 0 .000 0
	CrM1 0 .9061 .25 .5 .0122 .013 .013 .010 0 .0027 0
	MgM1 0 .9061 .25 .5 .0122 .013 .013 .010 0 .0027 0
	Si .2886 .0922 .2302 .0111 .0108 .013 .0098 -.0003 .0036 -.0012
	O1 .1146 .0812 .1393 .015 .011 .021 .014 -.002 .004 -.001
	O2 .3595 .2524 .3077 .020 .025 .018 .017 -.005 .006 -.003
	O3 .3507 .0124 .0008 .014 .014 .018 .014 .002 .007 -.007
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	Diopside
	Tribaudino M, Nestola F, Ohashi H
	European Journal of Mineralogy 17 (2005) 297-304
	High temperature single crystal investigation in a clinopyroxene of
	composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
	Sample: T = 620 C, 2-theta <= 50
	Note: Sample is exactly intermediate between diopside and kosmochlor
	_database_code_amcsd 0007097
	9.697 8.902 5.282 90 106.54 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaM2 0 .3013 .25 .5 .0312 .039 .024 .024 0 -.000 0
	CaM2 0 .3013 .25 .5 .0312 .039 .024 .024 0 -.000 0
	CrM1 0 .9057 .25 .5 .0149 .015 .015 .0137 0 .0028 0
	MgM1 0 .9057 .25 .5 .0149 .015 .015 .0137 0 .0028 0
	Si .2883 .0920 .2298 .0136 .0134 .016 .0116 -.0003 .0047 -.0001
	O1 .1141 .0808 .1386 .018 .014 .026 .016 -.002 .005 -.000
	O2 .3589 .2522 .3071 .025 .033 .018 .025 -.006 .010 -.004
	O3 .3505 .0117 .0009 .019 .020 .021 .015 .001 .006 -.006
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	Sanidine
	Menna M, Tribaudino M, Renzulli A
	European Journal of Mineralogy 20 (2008) 183-190
	Al-Si order and spinodal decomposition texture of sanidine from igneous clasts of Stromboli
	(southern Italy): insights into the timing between the emplacement of a shallow basic sheet
	intrusion and the eruption of related ejecta
	Locality: Stromboli volcano, southern Italy
	_database_code_amcsd 0007255
	8.437 13.003 7.172 90 116.10 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .28083 0 .13594 .65 .0288 .0205 .0339 .0294 0 .0087 0
	Na .28083 0 .13594 .31 .0288 .0205 .0339 .0294 0 .0087 0
	Ca .28083 0 .13594 .04 .0288 .0205 .0339 .0294 0 .0087 0
	Al1 .00862 .18258 .22368 .301 .0163 .0228 .0149 .0127 -.0025 .0092 -.0007
	Si1 .00862 .18258 .22368 .699 .0163 .0228 .0149 .0127 -.0025 .0092 -.0007
	Si2 .70336 .11725 .34380 .781 .0158 .0221 .0107 .0151 -.0003 .0088 -.0002
	Al2 .70336 .11725 .34380 .219 .0158 .0221 .0107 .0151 -.0003 .0088 -.0002
	OA1 0 .14359 0 .0272 .0430 .0244 .0181 0 .0170 0
	OA2 .62437 0 .28580 .0286 .0348 .0142 .0300 0 .0082 0
	OB .82598 .14117 .22565 .0302 .0302 .0363 .0305 -.0032 .0193 .0019
	OC .02924 .30826 .25606 .0246 .0284 .0189 .0256 -.0019 .0111 -.0013
	OD .18349 .12602 .40508 .0256 .0316 .0235 .0181 .0008 .0077 .0022
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