data_global
_chemical_name_mineral 'Anorthite'
loop_
_publ_author_name
'Foit F F'
'Peacor D R'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 665
_journal_page_last 675
_publ_section_title
;
 The anorthite crystal structure at 410 and 830 C
 T = 830 C
;
_database_code_amcsd 371
_chemical_formula_sum 'Ca Si2 Al2 O8'
_cell_length_a 8.223
_cell_length_b 12.915
_cell_length_c 14.204
_cell_angle_alpha 92.75
_cell_angle_beta 115.8
_cell_angle_gamma 91.02
_cell_volume 1355.28
_exptl_crystal_density_diffrn  2.727
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca(000)   0.2704  0.9831  0.0843  0.05573
Ca(z00)   0.2756  0.0325  0.5468  0.03458
Ca(0i0)   0.7737  0.5294  0.5488  0.03394
Ca(zi0)   0.764  0.5053  0.0689  0.03458
Si1(0000)   0.0144  0.1556  0.1087  0.01646
Si1(00i0)   0.5011  0.6672  0.6002  0.01773
Si1(mz00)   0.9994  0.8104  0.6119  0.02153
Si1(mzi0)   0.5063  0.3234  0.1105  0.01267
Si2(0z00)   0.6742  0.1087  0.6658  0.01646
Si2(0zi0)   0.1842  0.6037  0.1535  0.0152
Si2(m000)   0.6763  0.882  0.1864  0.0152
Si2(m0i0)   0.1814  0.3815  0.6735  0.01646
Al1(0z00)   0.0053  0.1586  0.6099  0.019
Al1(0zi0)   0.5001  0.6735  0.115  0.01013
Al1(m000)   0.9958  0.8088  0.119  0.02026
Al1(m0i0)   0.5051  0.3217  0.6199  0.01267
Al2(0000)   0.694  0.1173  0.1543  0.02786
Al2(00i0)   0.1911  0.613  0.6674  0.00887
Al2(mz00)   0.6881  0.8725  0.6726  0.0152
Al2(mzio)   0.1857  0.379  0.1819  0.0228
OA(1000)   0.0102  0.1413  0.9929  0.01267
OA(1z00)   0.9678  0.1276  0.4843  0.0304
OA(10i0)   0.4993  0.6122  0.4892  0.0228
OA(1zio)   0.5247  0.6269  0.9986  0.0152
OA(2000)   0.5817  0.9948  0.1556  0.0152
OA(2z00)   0.5775  0.9898  0.6503  0.0228
OA(20i0)   0.0822  0.4886  0.6282  0.0152
OA(2zi0)   0.0789  0.4919  0.1276  0.01267
OB(0000)   0.8046  0.1144  0.0866  0.03293
OB(0z00)   0.8133  0.1045  0.611  0.03546
OB(00i0)   0.3403  0.5955  0.5994  0.02533
OB(0zi0)   0.2943  0.6064  0.0851  0.0228
OB(m000)   0.8008  0.846  0.1255  0.04433
OB(mz00)   0.8142  0.8556  0.6015  0.02026
OB(m0i0)   0.3166  0.3706  0.627  0.04559
OB(mzio)   0.3402  0.3569  0.1319  0.04686
OC(0000)   0.0365  0.2757  0.1515  0.038
OC(0z00)   0.0108  0.2952  0.6342  0.0266
OC(00i0)   0.5017  0.7873  0.6226  0.019
OC(0zi0)   0.521  0.7967  0.1572  0.02786
OC(m000)   0.0021  0.678  0.1187  0.0228
OC(mz00)   0.0114  0.6944  0.6146  0.01646
OC(m0i0)   0.5222  0.1861  0.602  0.0304
OC(mzi0)   0.506  0.1881  0.0918  0.02913
OD(0000)   0.1771  0.1053  0.193  0.03166
OD(0z00)   0.2004  0.1226  0.6962  0.03673
OD(00i0)   0.7009  0.6093  0.6812  0.0228
OD(0zi0)   0.6996  0.5954  0.1918  0.0152
OD(m000)   0.1981  0.8832  0.2076  0.03293
OD(mz00)   0.1655  0.8639  0.7176  0.04939
OD(m0i0)   0.688  0.3604  0.724  0.0266
OD(mzi0)   0.7034  0.3621  0.2023  0.02153