Anorthite
Foit F F, Peacor D R
American Mineralogist 58 (1973) 665-675
The anorthite crystal structure at 410 and 830 C
T = 830 C
_database_code_amcsd 0000371
8.223 12.915 14.204 92.75 115.80 91.02 P-1
atom          x     y     z Biso
Ca(000)   .2704 .9831 .0843  4.4
Ca(z00)   .2756 .0325 .5468 2.73
Ca(0i0)   .7737 .5294 .5488 2.68
Ca(zi0)   .7640 .5053 .0689 2.73
Si1(0000) .0144 .1556 .1087  1.3
Si1(00i0) .5011 .6672 .6002  1.4
Si1(mz00) .9994 .8104 .6119  1.7
Si1(mzi0) .5063 .3234 .1105  1.0
Si2(0z00) .6742 .1087 .6658  1.3
Si2(0zi0) .1842 .6037 .1535  1.2
Si2(m000) .6763 .8820 .1864  1.2
Si2(m0i0) .1814 .3815 .6735  1.3
Al1(0z00) .0053 .1586 .6099  1.5
Al1(0zi0) .5001 .6735 .1150  0.8
Al1(m000) .9958 .8088 .1190  1.6
Al1(m0i0) .5051 .3217 .6199  1.0
Al2(0000) .6940 .1173 .1543  2.2
Al2(00i0) .1911 .6130 .6674   .7
Al2(mz00) .6881 .8725 .6726  1.2
Al2(mzio) .1857 .3790 .1819  1.8
OA(1000)  .0102 .1413 .9929  1.0
OA(1z00)  .9678 .1276 .4843  2.4
OA(10i0)  .4993 .6122 .4892  1.8
OA(1zio)  .5247 .6269 .9986  1.2
OA(2000)  .5817 .9948 .1556  1.2
OA(2z00)  .5775 .9898 .6503  1.8
OA(20i0)  .0822 .4886 .6282  1.2
OA(2zi0)  .0789 .4919 .1276  1.0
OB(0000)  .8046 .1144 .0866  2.6
OB(0z00)  .8133 .1045 .6110  2.8
OB(00i0)  .3403 .5955 .5994  2.0
OB(0zi0)  .2943 .6064 .0851  1.8
OB(m000)  .8008 .8460 .1255  3.5
OB(mz00)  .8142 .8556 .6015  1.6
OB(m0i0)  .3166 .3706 .6270  3.6
OB(mzio)  .3402 .3569 .1319  3.7
OC(0000)  .0365 .2757 .1515  3.0
OC(0z00)  .0108 .2952 .6342  2.1
OC(00i0)  .5017 .7873 .6226  1.5
OC(0zi0)  .5210 .7967 .1572  2.2
OC(m000)  .0021 .6780 .1187  1.8
OC(mz00)  .0114 .6944 .6146  1.3
OC(m0i0)  .5222 .1861 .6020  2.4
OC(mzi0)  .5060 .1881 .0918  2.3
OD(0000)  .1771 .1053 .1930  2.5
OD(0z00)  .2004 .1226 .6962  2.9
OD(00i0)  .7009 .6093 .6812  1.8
OD(0zi0)  .6996 .5954 .1918  1.2
OD(m000)  .1981 .8832 .2076  2.6
OD(mz00)  .1655 .8639 .7176  3.9
OD(m0i0)  .6880 .3604 .7240  2.1
OD(mzi0)  .7034 .3621 .2023  1.7