Scapolite Levien L, Papike J J American Mineralogist 61 (1976) 864-877 Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group disorder, and thermal expansion after heating _database_code_amcsd 0000528 12.082 12.082 7.576 90 90 90 *P4_2/n .25 .25 .25 atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Na .6127 .5358 .7634 .625 .00321 .00303 .0121 .00164 -.0003 .0001 Ca .6127 .5358 .7634 .375 .00321 .00303 .0121 .00164 -.0003 .0001 Si1 .5891 .6595 .2472 .00087 .00091 .00400 -.00005 -.00005 .00001 Al2 .9097 .1662 .0487 .00101 .00119 .00340 -.00002 .00034 .00021 Si3 .6629 .0857 .9613 .00101 .00131 .00300 -.00005 -.00013 -.00018 C .2600 .2300 .2400 .125 .008 .008 .016 .0000 .0000 -.0001 Cl .75 .75 .75 .5 .0095 .0095 .0170 0 0 0 O1 .7080 .6011 .2525 .0013 .0020 .0083 .0004 -.0008 -.0002 O2 .9424 .1277 .2617 .0030 .0021 .0038 .0010 .0005 -.0003 O3 .6005 .1915 .0439 .0027 .0018 .0072 .0006 -.0001 -.0007 O4 .7953 .0974 .9685 .0013 .0033 .0070 -.0007 -.0004 .0002 O5 .5198 .6184 .0767 .0027 .0020 .0085 .0001 -.0019 -.0014 O6 .6216 .9788 .0766 .0020 .0021 .0084 -.0004 -.0002 .0024 O7 .2700 .1200 .25 .125 .0080 .0080 .0160 0 0 -.0001 O8 .3600 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 O9 .1700 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001