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 = 200 C ; _database_code_amcsd 0003178 _chemical_formula_sum '(Ca.2 Sr.8) Si2 Al2 O8' _cell_length_a 8.367 _cell_length_b 12.968 _cell_length_c 14.266 _cell_angle_alpha 90.68 _cell_angle_beta 115.51 _cell_angle_gamma 90.54 _cell_volume 1396.722 _exptl_crystal_density_diffrn 3.008 _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) 0.27040 0.00100 0.06670 0.20000 0.02700 Sr(0) 0.27040 0.00100 0.06670 0.80000 0.02700 Ca(z) 0.26900 0.00590 0.56400 0.20000 0.02300 Sr(z) 0.26900 0.00590 0.56400 0.80000 0.02300 SiT1(00) 0.00730 0.17080 0.10740 1.00000 0.01300 AlT1(0z) 0.00310 0.17460 0.61550 1.00000 0.01200 AlT1(m0) 0.00210 0.81970 0.11730 1.00000 0.01200 SiT1(mz) 0.00690 0.82240 0.60930 1.00000 0.01200 AlT2(00) 0.69330 0.11900 0.16790 1.00000 0.01200 SiT2(0z) 0.68380 0.11150 0.66870 1.00000 0.01200 SiT2(m0) 0.68520 0.88540 0.17480 1.00000 0.01200 AlT2(mz) 0.69360 0.87820 0.67240 1.00000 0.01200 OA(10) 0.00590 0.12850 0.99830 1.00000 0.01800 OA(1z) 0.99530 0.12920 0.49720 1.00000 0.01800 OA(20) 0.59060 0.99700 0.14250 1.00000 0.01700 OA(2z) 0.58930 0.99740 0.64210 1.00000 0.01700 OB(00) 0.82650 0.12050 0.10240 1.00000 0.02200 OB(0z) 0.80690 0.12070 0.60760 1.00000 0.02200 OB(m0) 0.80990 0.86770 0.11650 1.00000 0.02400 OB(mz) 0.82860 0.86830 0.60910 1.00000 0.02200 OC(00) 0.01420 0.29330 0.12320 1.00000 0.02100 OC(0z) 0.01950 0.30590 0.63690 1.00000 0.02100 OC(m0) 0.01530 0.68680 0.12420 1.00000 0.02000 OC(mz) 0.01150 0.69860 0.61290 1.00000 0.02100 OD(00) 0.18650 0.12010 0.19350 1.00000 0.02400 OD(0z) 0.19660 0.11440 0.69990 1.00000 0.02100 OD(m0) 0.19870 0.87750 0.20710 1.00000 0.02200 OD(mz) 0.18790 0.87040 0.69910 1.00000 0.02400 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) 0.01100 0.03700 0.02900 0.00000 0.00500 -0.01200 Sr(0) 0.01100 0.03700 0.02900 0.00000 0.00500 -0.01200 Ca(z) 0.01200 0.02900 0.02500 0.00100 0.00600 -0.00400 Sr(z) 0.01200 0.02900 0.02500 0.00100 0.00600 -0.00400 SiT1(00) 0.01400 0.01500 0.01100 -0.00300 0.00700 -0.00100 AlT1(0z) 0.01200 0.01300 0.01200 -0.00200 0.00600 0.00000 AlT1(m0) 0.01300 0.01400 0.01100 0.00200 0.00600 0.00000 SiT1(mz) 0.01300 0.01400 0.01100 0.00300 0.00600 0.00100 AlT2(00) 0.01000 0.01200 0.01300 0.00000 0.00500 0.00000 SiT2(0z) 0.01100 0.01100 0.01400 -0.00100 0.00600 -0.00100 SiT2(m0) 0.01000 0.01100 0.01300 0.00100 0.00400 0.00000 AlT2(mz) 0.01200 0.01100 0.01300 0.00100 0.00600 0.00000 OA(10) 0.02300 0.01900 0.01300 -0.00100 0.01000 0.00100 OA(1z) 0.02200 0.02200 0.01200 0.00100 0.01000 0.00200 OA(20) 0.01600 0.01000 0.02500 0.00100 0.00800 0.00200 OA(2z) 0.01100 0.01100 0.02700 -0.00100 0.00500 0.00000 OB(00) 0.01900 0.02500 0.02600 -0.00500 0.01400 -0.00100 OB(0z) 0.02000 0.02400 0.02700 -0.00500 0.01600 0.00100 OB(m0) 0.01800 0.02900 0.03100 0.00500 0.01600 -0.00300 OB(mz) 0.02100 0.02600 0.02700 0.00700 0.01600 0.00300 OC(00) 0.02100 0.01800 0.02500 -0.00600 0.01000 -0.00500 OC(0z) 0.01900 0.01600 0.03000 -0.00700 0.01100 -0.00600 OC(m0) 0.01800 0.01500 0.02500 0.00500 0.00800 0.00200 OC(mz) 0.02000 0.01700 0.02500 0.00500 0.00800 0.00200 OD(00) 0.02100 0.03100 0.01600 0.00300 0.00400 0.00200 OD(0z) 0.01800 0.02400 0.01500 0.00200 0.00200 0.00100 OD(m0) 0.01800 0.02600 0.01600 -0.00100 0.00100 -0.00200 OD(mz) 0.01800 0.02900 0.01700 -0.00100 0.00200 -0.00300