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 = 410 C
;
_database_code_amcsd 370
_chemical_formula_sum 'Ca Si2 Al2 O8'
_cell_length_a 8.194
_cell_length_b 12.897
_cell_length_c 14.19
_cell_angle_alpha 92.98
_cell_angle_beta 115.82
_cell_angle_gamma 91.15
_cell_volume 1346.516
_exptl_crystal_density_diffrn  2.745
_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)   0.2672  0.9878  0.0822  0.04813
Ca(z00)   0.274  0.0333  0.5452  0.0209
Ca(0i0)   0.7736  0.5326  0.5465  0.01608
Ca(zi0)   0.7623  0.5099  0.0656  0.02799
Si1(0000)   0.0132  0.1548  0.1069  0.01267
Si1(00i0)   0.5009  0.6644  0.6026  0.0152
Si1(mz00)   0.9998  0.8116  0.6106  0.0114
Si1(mzi0)   0.5066  0.3238  0.1129  0.01393
Si2(0z00)   0.6723  0.1059  0.6625  0.01773
Si2(0zi0)   0.1834  0.6063  0.1545  0.00887
Si2(m000)   0.6742  0.8806  0.1864  0.0152
Si2(m0i0)   0.1805  0.3822  0.6753  0.0114
Al1(0z00)   0.0059  0.1587  0.6111  0.01393
Al1(0zi0)   0.4994  0.6704  0.1126  0.01013
Al1(m000)   0.9897  0.811  0.1192  0.01393
Al1(m0i0)   0.5115  0.3187  0.6204  0.01013
Al2(0000)   0.6896  0.1146  0.1565  0.02026
Al2(00i0)   0.1899  0.6126  0.6645  0.0114
Al2(mz00)   0.6835  0.8711  0.6727  0.01393
Al2(mzio)   0.1866  0.3799  0.1813  0.01013
OA(1000)   0.0156  0.1335  0.9943  0.02153
OA(1z00)   0.9785  0.1295  0.4869  0.0152
OA(10i0)   0.4988  0.6191  0.487  0.019
OA(1zio)   0.5199  0.6262  0.9947  0.019
OA(2000)   0.5826  0.9939  0.1516  0.01646
OA(2z00)   0.573  0.9931  0.6473  0.02153
OA(20i0)   0.0783  0.4874  0.6308  0.00887
OA(2zi0)   0.0793  0.4905  0.1313  0.00887
OB(0000)   0.8103  0.1086  0.0865  0.02406
OB(0z00)   0.8117  0.1013  0.6035  0.01773
OB(00i0)   0.3343  0.5947  0.5985  0.01646
OB(0zi0)   0.2825  0.6068  0.0819  0.02026
OB(m000)   0.8226  0.8585  0.1374  0.03293
OB(mz00)   0.8129  0.8546  0.6066  0.02026
OB(m0i0)   0.296  0.3546  0.6161  0.0266
OB(mzio)   0.3403  0.3592  0.1262  0.04053
OC(0000)   0.0283  0.2754  0.1491  0.02153
OC(0z00)   0.0384  0.2922  0.6471  0.02026
OC(00i0)   0.4994  0.7846  0.6253  0.01393
OC(0zi0)   0.5002  0.7974  0.1511  0.01646
OC(m000)   0.9987  0.6808  0.1152  0.01646
OC(mz00)   0.0042  0.6888  0.6098  0.0228
OC(m0i0)   0.5193  0.1812  0.6023  0.02026
OC(mzi0)   0.5114  0.1926  0.0946  0.019
OD(0000)   0.1821  0.1131  0.1941  0.03293
OD(0z00)   0.2126  0.1087  0.6879  0.01646
OD(00i0)   0.6984  0.6029  0.6822  0.01393
OD(0zi0)   0.6885  0.6001  0.1973  0.02153
OD(m000)   0.2043  0.8773  0.2136  0.02153
OD(mz00)   0.1657  0.8592  0.716  0.03546
OD(m0i0)   0.6857  0.3597  0.7251  0.0266
OD(mzi0)   0.7024  0.3629  0.2041  0.01646