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 0000370 _chemical_formula_sum 'Ca Si2 Al2 O8' _cell_length_a 8.194 _cell_length_b 12.897 _cell_length_c 14.190 _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) 0.26720 0.98780 0.08220 0.04813 Ca(z00) 0.27400 0.03330 0.54520 0.02090 Ca(0i0) 0.77360 0.53260 0.54650 0.01608 Ca(zi0) 0.76230 0.50990 0.06560 0.02799 Si1(0000) 0.01320 0.15480 0.10690 0.01267 Si1(00i0) 0.50090 0.66440 0.60260 0.01520 Si1(mz00) 0.99980 0.81160 0.61060 0.01140 Si1(mzi0) 0.50660 0.32380 0.11290 0.01393 Si2(0z00) 0.67230 0.10590 0.66250 0.01773 Si2(0zi0) 0.18340 0.60630 0.15450 0.00887 Si2(m000) 0.67420 0.88060 0.18640 0.01520 Si2(m0i0) 0.18050 0.38220 0.67530 0.01140 Al1(0z00) 0.00590 0.15870 0.61110 0.01393 Al1(0zi0) 0.49940 0.67040 0.11260 0.01013 Al1(m000) 0.98970 0.81100 0.11920 0.01393 Al1(m0i0) 0.51150 0.31870 0.62040 0.01013 Al2(0000) 0.68960 0.11460 0.15650 0.02026 Al2(00i0) 0.18990 0.61260 0.66450 0.01140 Al2(mz00) 0.68350 0.87110 0.67270 0.01393 Al2(mzio) 0.18660 0.37990 0.18130 0.01013 OA(1000) 0.01560 0.13350 0.99430 0.02153 OA(1z00) 0.97850 0.12950 0.48690 0.01520 OA(10i0) 0.49880 0.61910 0.48700 0.01900 OA(1zio) 0.51990 0.62620 0.99470 0.01900 OA(2000) 0.58260 0.99390 0.15160 0.01646 OA(2z00) 0.57300 0.99310 0.64730 0.02153 OA(20i0) 0.07830 0.48740 0.63080 0.00887 OA(2zi0) 0.07930 0.49050 0.13130 0.00887 OB(0000) 0.81030 0.10860 0.08650 0.02406 OB(0z00) 0.81170 0.10130 0.60350 0.01773 OB(00i0) 0.33430 0.59470 0.59850 0.01646 OB(0zi0) 0.28250 0.60680 0.08190 0.02026 OB(m000) 0.82260 0.85850 0.13740 0.03293 OB(mz00) 0.81290 0.85460 0.60660 0.02026 OB(m0i0) 0.29600 0.35460 0.61610 0.02660 OB(mzio) 0.34030 0.35920 0.12620 0.04053 OC(0000) 0.02830 0.27540 0.14910 0.02153 OC(0z00) 0.03840 0.29220 0.64710 0.02026 OC(00i0) 0.49940 0.78460 0.62530 0.01393 OC(0zi0) 0.50020 0.79740 0.15110 0.01646 OC(m000) 0.99870 0.68080 0.11520 0.01646 OC(mz00) 0.00420 0.68880 0.60980 0.02280 OC(m0i0) 0.51930 0.18120 0.60230 0.02026 OC(mzi0) 0.51140 0.19260 0.09460 0.01900 OD(0000) 0.18210 0.11310 0.19410 0.03293 OD(0z00) 0.21260 0.10870 0.68790 0.01646 OD(00i0) 0.69840 0.60290 0.68220 0.01393 OD(0zi0) 0.68850 0.60010 0.19730 0.02153 OD(m000) 0.20430 0.87730 0.21360 0.02153 OD(mz00) 0.16570 0.85920 0.71600 0.03546 OD(m0i0) 0.68570 0.35970 0.72510 0.02660 OD(mzi0) 0.70240 0.36290 0.20410 0.01646