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 = 500 C ; _database_code_amcsd 0003180 _chemical_formula_sum '(Ca.2 Sr.8) Si2 Al2 O8' _cell_length_a 8.379 _cell_length_b 12.971 _cell_length_c 14.278 _cell_angle_alpha 90.11 _cell_angle_beta 115.48 _cell_angle_gamma 90.06 _cell_volume 1400.851 _exptl_crystal_density_diffrn 2.999 _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) 0.27150 -0.00170 0.06610 0.20000 0.03700 Sr(0) 0.27150 -0.00170 0.06610 0.80000 0.03700 Ca(z) 0.27140 0.00240 0.56600 0.20000 0.03700 Sr(z) 0.27140 0.00240 0.56600 0.80000 0.03700 SiT1(00) 0.00730 0.17460 0.10820 1.00000 0.01900 AlT1(0z) 0.00270 0.17770 0.61630 1.00000 0.01900 AlT1(m0) 0.00250 0.82180 0.11660 1.00000 0.01900 SiT1(mz) 0.00750 0.82500 0.60850 1.00000 0.01900 AlT2(00) 0.69500 0.12070 0.17060 1.00000 0.01800 SiT2(0z) 0.68530 0.11300 0.67190 1.00000 0.01800 SiT2(m0) 0.68580 0.88670 0.17240 1.00000 0.01800 AlT2(mz) 0.69480 0.87920 0.67070 1.00000 0.01800 OA(10) 0.00470 0.12940 0.00040 1.00000 0.02700 OA(1z) 0.99500 0.12960 0.49920 1.00000 0.02800 OA(20) 0.59190 0.00020 0.14230 1.00000 0.02800 OA(2z) 0.59170 0.00000 0.64250 1.00000 0.02700 OB(00) 0.82950 0.12610 0.10620 1.00000 0.03500 OB(0z) 0.80920 0.12670 0.61170 1.00000 0.03600 OB(m0) 0.80940 0.87230 0.11300 1.00000 0.03700 OB(mz) 0.82910 0.87300 0.60650 1.00000 0.03600 OC(00) 0.01360 0.29720 0.11900 1.00000 0.03300 OC(0z) 0.01890 0.30960 0.63170 1.00000 0.03200 OC(m0) 0.01740 0.68960 0.13020 1.00000 0.03200 OC(mz) 0.01320 0.70200 0.61760 1.00000 0.03400 OD(00) 0.18700 0.12460 0.19580 1.00000 0.03800 OD(0z) 0.19650 0.11870 0.70260 1.00000 0.03400 OD(m0) 0.19740 0.88030 0.20380 1.00000 0.03400 OD(mz) 0.18670 0.87430 0.69600 1.00000 0.03600 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) 0.01900 0.04600 0.04300 -0.00100 0.01100 -0.00700 Sr(0) 0.01900 0.04600 0.04300 -0.00100 0.01100 -0.00700 Ca(z) 0.02000 0.04600 0.04200 -0.00100 0.01100 0.00100 Sr(z) 0.02000 0.04600 0.04200 -0.00100 0.01100 0.00100 SiT1(00) 0.02000 0.02000 0.02100 -0.00500 0.01200 -0.00300 AlT1(0z) 0.01800 0.02000 0.02100 -0.00400 0.01100 -0.00200 AlT1(m0) 0.02000 0.01900 0.02100 0.00300 0.01200 0.00000 SiT1(mz) 0.01800 0.02100 0.01900 0.00300 0.01000 -0.00100 AlT2(00) 0.01600 0.01800 0.02200 -0.00200 0.00900 -0.00200 SiT2(0z) 0.01700 0.01400 0.02500 -0.00300 0.01000 -0.00300 SiT2(m0) 0.01700 0.01500 0.02400 0.00100 0.01000 -0.00100 AlT2(mz) 0.01700 0.01700 0.02300 -0.00100 0.01000 -0.00200 OA(10) 0.03600 0.03100 0.01900 -0.00100 0.01700 -0.00400 OA(1z) 0.03500 0.03100 0.02100 0.00200 0.01600 0.00100 OA(20) 0.02300 0.01500 0.04500 0.00000 0.01400 -0.00100 OA(2z) 0.01900 0.01400 0.04500 -0.00300 0.01100 -0.00300 OB(00) 0.02900 0.03900 0.04500 -0.00900 0.02500 -0.00500 OB(0z) 0.02900 0.04000 0.05100 -0.00800 0.02700 0.00100 OB(m0) 0.03100 0.03900 0.05000 0.01100 0.02600 -0.00400 OB(mz) 0.03400 0.04000 0.04900 0.01100 0.03200 0.00100 OC(00) 0.03100 0.02300 0.04300 -0.00800 0.01400 -0.00600 OC(0z) 0.02900 0.02300 0.04500 -0.00800 0.01600 -0.00700 OC(m0) 0.02800 0.02200 0.04700 0.00500 0.01700 0.00200 OC(mz) 0.03300 0.02500 0.04100 0.00700 0.01500 0.00400 OD(00) 0.03700 0.04500 0.02800 0.00500 0.01000 0.00400 OD(0z) 0.02600 0.04100 0.02400 -0.00100 0.00200 0.00000 OD(m0) 0.03200 0.03800 0.02500 -0.00400 0.00500 -0.00700 OD(mz) 0.02700 0.04800 0.02500 -0.00300 0.00300 -0.00800