Table 5 - Atomic coordinates and anisotropic dispacement factorsSAMPLE C(1) from Hawthorne et al (1996) Am. Mineral., 81, 995-1002WAVELENGTH .7107 THETA RANGE 2-30 N. INDEPENDENT REFL. 1364UNIT-CELL PARAMETERS 9.8156(100) 17.8991(210) 5.2965( 60) 90.0 105.354( 80) 90.0RSYM 1.90 ROBS 1.99 RALL 3.39MU 19.5 SECONDARY EXTINCTION COEFFICIENT .0000103ATOM x/a y/b z/c beta11 beta22 beta33 beta12 beta13 beta23O 1 .10572 .08754 .21559 .0020 .0010 .0051 -.0004 .0012 -.0004O 2 .11969 .17305 .73674 .0018 .0006 .0067 .0001 .0008 .0002O 3 .10761 .00000 .71486 .0031 .0007 .0089 .0000 .0014 .0000O 4 .36736 .25166 .78946 .0033 .0006 .0087 .0000 .0028 .0002O 5 .35318 .14128 .11486 .0027 .0009 .0078 -.0001 .0006 .0010O 6 .34569 .11666 .61425 .0023 .0010 .0103 .0000 .0012 -.0012O 7 .34513 .00000 .27551 .0028 .0008 .0155 .0000 .0019 .0000T 1 .28191 .08553 .30437 .0013 .0004 .0045 -.0001 .0006 .0000T 2 .29187 .17368 .81565 .0014 .0004 .0043 .0000 .0008 .0002M 1 .00000 .08941 .50000 .0021 .0004 .0044 .0000 .0013 .0000M 2 .00000 .17528 .00000 .0017 .0005 .0051 .0000 .0012 .0000M 3 .00000 .00000 .00000 .0020 .0004 .0040 .0000 .0005 .0000M 4 .00000 .27950 .50000 .0023 .0005 .0071 .0000 .0021 .0000A .00000 .50000 .00000 .0021 .0105 .0064 .0000 .0025 .0000Am .05152 .50000 .10894 .0092 .0042 .0331 .0000 .0119 .0000A2 .00000 .46754 .00000 .0071 .0008 .0249 .0000 .0056 .0000M42 .00000 .26573 .50000 2.6583 SAMPLE C(2) from Hawthorne et al (1996) Am. Mineral., 81, 995-1002WAVELENGTH .7107 THETA RANGE 2-30 N. OF INDEPENDENT REFL. 1362UNIT-CELL PARAMETERS 9.8262( 40) 17.9056( 90) 5.3013( 30) 90.0 105.409( 40) 90.0RSYM 1.10 ROBS 1.51 RALL 2.29MU 19.5 SECONDARY EXTINCTION COEFFICIENT .0000155ATOM x/a y/b z/c beta11 beta22 beta33 beta12 beta13 beta23O 1 .10535 .08784 .21534 .0017 .0009 .0061 -.0003 .0009 -.0003O 2 .11943 .17318 .73715 .0015 .0005 .0070 .0000 .0004 .0003O 3 .10722 .00000 .71488 .0027 .0006 .0100 .0000 .0013 .0000O 4 .36751 .25183 .78988 .0029 .0006 .0099 .0000 .0027 .0002O 5 .35306 .14148 .11526 .0021 .0009 .0080 -.0001 .0003 .0010O 6 .34567 .11671 .61564 .0019 .0010 .0111 .0000 .0012 -.0012O 7 .34484 .00000 .27656 .0030 .0006 .0163 .0000 .0011 .0000T 1 .28155 .08570 .30493 .0012 .0004 .0049 -.0001 .0004 .0000T 2 .29185 .17382 .81631 .0011 .0004 .0048 .0000 .0007 .0001M 1 .00000 .08952 .50000 .0018 .0004 .0052 .0000 .0012 .0000M 2 .00000 .17529 .00000 .0014 .0004 .0054 .0000 .0009 .0000M 3 .00000 .00000 .00000 .0017 .0004 .0049 .0000 .0005 .0000M 4 .00000 .27972 .50000 .0022 .0005 .0075 .0000 .0020 .0000A .00000 .50000 .00000 .0127 .0061 .0544 .0000 .0244 .0000Am .05757 .50000 .12124 .0034 .0015 .0116 .0000 .0027 .0000A2 .00000 .46797 .00000 .0098 .0011 .0373 .0000 .0107 .0000M42 .00000 .26547 .50000 1.1447 SAMPLE C(3) from Hawthorne et al (1996) Am. Mineral., 81, 995-1002WAVELENGTH .7107 THETA RANGE 2-30 N. OF INDEPENDENT REFL. 1365UNIT-CELL PARAMETERS 9.8363( 5) 17.9210( 6) 5.3056( 3) 90.0 105.397( 4) 90.0RSYM 1.80 ROBS 1.62 RALL 2.47MU 19.4 SECONDARY EXTINCTION COEFFICIENT .0000684ATOM x/a y/b z/c beta11 beta22 beta33 beta12 beta13 beta23O 1 .10534 .08796 .21545 .0018 .0009 .0070 -.0003 .0015 -.0004O 2 .11938 .17330 .73734 .0015 .0005 .0081 .0000 .0008 .0001O 3 .10748 .00000 .71524 .0025 .0006 .0107 .0000 .0017 .0000O 4 .36755 .25190 .78964 .0029 .0006 .0097 -.0001 .0027 .0001O 5 .35306 .14143 .11529 .0021 .0009 .0080 -.0001 .0006 .0010O 6 .34541 .11676 .61563 .0018 .0010 .0113 .0000 .0014 -.0011O 7 .34437 .00000 .27731 .0029 .0007 .0168 .0000 .0011 .0000T 1 .28137 .08575 .30503 .0011 .0004 .0054 -.0001 .0006 .0000T 2 .29187 .17383 .81647 .0011 .0004 .0051 .0000 .0009 .0001M 1 .00000 .08958 .50000 .0017 .0004 .0054 .0000 .0013 .0000M 2 .00000 .17540 .00000 .0014 .0004 .0054 .0000 .0010 .0000M 3 .00000 .00000 .00000 .0016 .0004 .0054 .0000 .0006 .0000M 4 .00000 .28003 .50000 .0019 .0004 .0073 .0000 .0022 .0000A .00000 .50000 .00000 .0080 .0108 .0306 .0000 .0138 .0000Am .05212 .50000 .11072 .0079 .0026 .0326 .0000 .0100 .0000A2 .00000 .46752 .00000 .0057 .0006 .0254 .0000 .0070 .0000M42 .00000 .26916 .50000 1.1638 SAMPLE BMS from Hawthorne et al (1996) Am. Mineral., 81, 995-1002 WAVELENGTH .7107 THETA RANGE 2-30 N. OF INDEPENDENT REFL. 1380UNIT-CELL PARAMETERS 9.8889( 25) 17.9784( 33) 5.2983( 16) 90.0 105.415( 22) 90.0RSYM 1.40 ROBS 1.85 RALL 2.38MU 17.2 SECONDARY EXTINCTION COEFFICIENT .0001465ATOM x/a y/b z/c beta11 beta22 beta33 beta12 beta13 beta23O 1 .10636 .08723 .21786 .0020 .0007 .0054 -.0003 .0012 -.0004O 2 .11934 .17260 .73227 .0017 .0006 .0065 .0000 .0007 .0001O 3 .10557 .00000 .71433 .0024 .0006 .0071 .0000 .0014 .0000O 4 .36604 .25077 .79156 .0031 .0006 .0084 -.0002 .0024 .0000O 5 .35027 .13938 .11214 .0024 .0009 .0079 .0000 .0005 .0009O 6 .34530 .11751 .61097 .0022 .0008 .0108 .0001 .0014 -.0010O 7 .34108 .00000 .28705 .0029 .0008 .0144 .0000 .0009 .0000T 1 .27983 .08547 .30512 .0014 .0004 .0041 -.0001 .0005 .0000T 2 .29027 .17333 .81406 .0015 .0005 .0041 .0000 .0009 .0001M 1 .00000 .08923 .50000 .0018 .0004 .0040 .0000 .0011 .0000M 2 .00000 .17563 .00000 .0016 .0004 .0043 .0000 .0010 .0000M 3 .00000 .00000 .00000 .0019 .0004 .0043 .0000 .0007 .0000M 4 .00000 .27956 .50000 .0024 .0005 .0076 .0000 .0023 .0000A .00000 .50000 .00000 .0036 .0010 .0040 .0000 .0038 .0000Am .03215 .50000 .06808 .0102 .0018 .0417 .0000 .0180 .0000A2 .00000 .47290 .00000 .0072 .0025 .0354 .0000 .0149 .0000H .16680 .00000 .64017 7.8870 .0000??