data_global _chemical_name_mineral 'Feldspar' loop_ _publ_author_name 'Benna P' 'Bruno E' _journal_name_full 'American Mineralogist' _journal_volume 88 _journal_year 2003 _journal_page_first 1532 _journal_page_last 1541 _publ_section_title ; Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 400 C ; _database_code_amcsd 0003179 _chemical_formula_sum '(Ca.2 Sr.8) Si2 Al2 O8' _cell_length_a 8.377 _cell_length_b 12.971 _cell_length_c 14.275 _cell_angle_alpha 90.46 _cell_angle_beta 115.49 _cell_angle_gamma 90.30 _cell_volume 1400.001 _exptl_crystal_density_diffrn 3.001 _symmetry_space_group_name_H-M 'I -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca(0) 0.27130 -0.00020 0.06650 0.20000 0.03400 Sr(0) 0.27130 -0.00020 0.06650 0.80000 0.03400 Ca(z) 0.27020 0.00410 0.56500 0.20000 0.03100 Sr(z) 0.27020 0.00410 0.56500 0.80000 0.03100 SiT1(00) 0.00740 0.17250 0.10790 1.00000 0.01600 AlT1(0z) 0.00270 0.17620 0.61580 1.00000 0.01600 AlT1(m0) 0.00240 0.82050 0.11680 1.00000 0.01600 SiT1(mz) 0.00730 0.82340 0.60900 1.00000 0.01600 AlT2(00) 0.69450 0.11970 0.16910 1.00000 0.01600 SiT2(0z) 0.68460 0.11230 0.67000 1.00000 0.01500 SiT2(m0) 0.68620 0.88600 0.17400 1.00000 0.01600 AlT2(mz) 0.69420 0.87860 0.67170 1.00000 0.01600 OA(10) 0.00540 0.12920 0.99940 1.00000 0.02400 OA(1z) 0.99500 0.12980 0.49790 1.00000 0.02500 OA(20) 0.59200 0.99830 0.14310 1.00000 0.02400 OA(2z) 0.59130 0.99850 0.64260 1.00000 0.02400 OB(00) 0.82780 0.12370 0.10390 1.00000 0.02900 OB(0z) 0.80790 0.12410 0.60970 1.00000 0.03100 OB(m0) 0.81000 0.86960 0.11490 1.00000 0.03400 OB(mz) 0.82920 0.87000 0.60800 1.00000 0.02900 OC(00) 0.01470 0.29530 0.12120 1.00000 0.03000 OC(0z) 0.01880 0.30800 0.63400 1.00000 0.02800 OC(m0) 0.01720 0.68790 0.12740 1.00000 0.02800 OC(mz) 0.01270 0.70010 0.61500 1.00000 0.02900 OD(00) 0.18630 0.12210 0.19430 1.00000 0.03200 OD(0z) 0.19660 0.11610 0.70120 1.00000 0.02900 OD(m0) 0.19770 0.87940 0.20580 1.00000 0.03000 OD(mz) 0.18770 0.87170 0.69790 1.00000 0.03200 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca(0) 0.01700 0.04500 0.03700 0.00000 0.00800 -0.01100 Sr(0) 0.01700 0.04500 0.03700 0.00000 0.00800 -0.01100 Ca(z) 0.01700 0.04000 0.03400 0.00100 0.00900 -0.00100 Sr(z) 0.01700 0.04000 0.03400 0.00100 0.00900 -0.00100 SiT1(00) 0.01700 0.01900 0.01500 -0.00300 0.00900 -0.00100 AlT1(0z) 0.01900 0.01600 0.01700 -0.00300 0.01000 -0.00100 AlT1(m0) 0.01900 0.01800 0.01500 0.00400 0.01000 0.00100 SiT1(mz) 0.01700 0.01800 0.01500 0.00400 0.00900 0.00000 AlT2(00) 0.01500 0.01600 0.01800 -0.00100 0.00800 0.00000 SiT2(0z) 0.01400 0.01300 0.01800 -0.00100 0.00700 -0.00100 SiT2(m0) 0.01600 0.01300 0.01800 0.00200 0.00700 0.00000 AlT2(mz) 0.01600 0.01500 0.01800 0.00100 0.00900 0.00000 OA(10) 0.03100 0.02600 0.01800 0.00000 0.01400 -0.00100 OA(1z) 0.03300 0.02900 0.01700 0.00200 0.01600 0.00200 OA(20) 0.02000 0.01400 0.03600 0.00200 0.00900 0.00300 OA(2z) 0.01900 0.01400 0.03600 0.00000 0.01000 0.00000 OB(00) 0.02500 0.03500 0.03300 -0.00900 0.02000 -0.00400 OB(0z) 0.02700 0.03400 0.04100 -0.00500 0.02400 0.00200 OB(m0) 0.02900 0.04000 0.04300 0.00800 0.02600 -0.00200 OB(mz) 0.02500 0.03500 0.03500 0.00800 0.02100 0.00300 OC(00) 0.03300 0.01900 0.03800 -0.00800 0.01500 -0.00500 OC(0z) 0.02500 0.02000 0.03800 -0.00800 0.01400 -0.00500 OC(m0) 0.02400 0.02100 0.03500 0.00800 0.00900 0.00200 OC(mz) 0.03200 0.01900 0.03500 0.00800 0.01300 0.00400 OD(00) 0.02800 0.04100 0.02400 0.00600 0.00800 0.00400 OD(0z) 0.03000 0.03100 0.02000 0.00400 0.00400 0.00300 OD(m0) 0.02500 0.03400 0.02400 -0.00100 0.00400 -0.00400 OD(mz) 0.02800 0.04200 0.02000 -0.00100 0.00400 -0.00500