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 = 20 C ; _database_code_amcsd 0003177 _chemical_formula_sum '(Ca.2 Sr.8) Si2 Al2 O8' _cell_length_a 8.361 _cell_length_b 12.973 _cell_length_c 14.259 _cell_angle_alpha 90.79 _cell_angle_beta 115.55 _cell_angle_gamma 90.62 _cell_volume 1395.014 _exptl_crystal_density_diffrn 3.011 _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) 0.26940 0.00140 0.06690 0.20000 0.02000 Sr(0) 0.26940 0.00140 0.06690 0.80000 0.02000 Ca(z) 0.26780 0.00720 0.56290 0.20000 0.01600 Sr(z) 0.26780 0.00720 0.56290 0.80000 0.01600 SiT1(00) 0.00700 0.16980 0.10720 1.00000 0.01000 AlT1(0z) 0.00290 0.17370 0.61540 1.00000 0.00900 AlT1(m0) 0.00220 0.81940 0.11760 1.00000 0.00900 SiT1(mz) 0.00680 0.82220 0.60950 1.00000 0.00900 AlT2(00) 0.69190 0.11850 0.16690 1.00000 0.00900 SiT2(0z) 0.68300 0.11120 0.66810 1.00000 0.00900 SiT2(m0) 0.68440 0.88520 0.17540 1.00000 0.00900 AlT2(mz) 0.69270 0.87810 0.67240 1.00000 0.00800 OA(10) 0.00640 0.12790 0.99780 1.00000 0.01400 OA(1z) 0.99450 0.12870 0.49660 1.00000 0.01300 OA(20) 0.58840 0.99650 0.14210 1.00000 0.01300 OA(2z) 0.58740 0.99670 0.64220 1.00000 0.01300 OB(00) 0.82510 0.11900 0.10120 1.00000 0.01600 OB(0z) 0.80610 0.11940 0.60670 1.00000 0.01500 OB(m0) 0.81000 0.86750 0.11740 1.00000 0.01800 OB(mz) 0.82750 0.86790 0.60870 1.00000 0.01600 OC(00) 0.01480 0.29240 0.12420 1.00000 0.01600 OC(0z) 0.01930 0.30470 0.63810 1.00000 0.01600 OC(m0) 0.01440 0.68650 0.12290 1.00000 0.01500 OC(mz) 0.00940 0.69790 0.61190 1.00000 0.01500 OD(00) 0.18570 0.11840 0.19300 1.00000 0.01700 OD(0z) 0.19790 0.11320 0.69950 1.00000 0.01600 OD(m0) 0.19910 0.87680 0.20780 1.00000 0.01500 OD(mz) 0.18770 0.86970 0.70000 1.00000 0.01800 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) 0.00800 0.02800 0.02200 0.00000 0.00300 -0.01100 Sr(0) 0.00800 0.02800 0.02200 0.00000 0.00300 -0.01100 Ca(z) 0.00800 0.02000 0.01700 0.00000 0.00400 -0.00300 Sr(z) 0.00800 0.02000 0.01700 0.00000 0.00400 -0.00300 SiT1(00) 0.00900 0.01100 0.00900 -0.00300 0.00500 0.00000 AlT1(0z) 0.01000 0.01000 0.00900 -0.00200 0.00500 0.00000 AlT1(m0) 0.01000 0.01000 0.00900 0.00100 0.00500 0.00000 SiT1(mz) 0.00900 0.01100 0.00800 0.00200 0.00400 0.00100 AlT2(00) 0.00800 0.00800 0.01000 0.00000 0.00300 0.00000 SiT2(0z) 0.00800 0.00800 0.01100 -0.00100 0.00400 0.00000 SiT2(m0) 0.00800 0.00800 0.01000 0.00000 0.00400 0.00000 AlT2(mz) 0.00800 0.00800 0.01000 0.00000 0.00400 0.00000 OA(10) 0.01700 0.01700 0.00900 -0.00300 0.00700 0.00000 OA(1z) 0.01400 0.01600 0.01000 0.00200 0.00800 0.00200 OA(20) 0.01200 0.00800 0.01800 0.00000 0.00600 0.00200 OA(2z) 0.01000 0.00800 0.01900 -0.00100 0.00600 0.00200 OB(00) 0.01300 0.01700 0.02100 -0.00400 0.01100 -0.00100 OB(0z) 0.01500 0.01700 0.01800 -0.00300 0.01100 0.00000 OB(m0) 0.01500 0.02200 0.02400 0.00300 0.01300 -0.00300 OB(mz) 0.01400 0.02000 0.01800 0.00500 0.01100 0.00200 OC(00) 0.01500 0.01300 0.01900 -0.00600 0.00700 -0.00400 OC(0z) 0.01500 0.01200 0.02000 -0.00600 0.00700 -0.00300 OC(m0) 0.01400 0.01100 0.01900 0.00300 0.00600 0.00100 OC(mz) 0.01300 0.01200 0.01800 0.00200 0.00500 0.00000 OD(00) 0.01400 0.02300 0.01200 0.00100 0.00400 0.00200 OD(0z) 0.01500 0.01700 0.01200 0.00200 0.00100 0.00200 OD(m0) 0.01200 0.01700 0.01300 0.00000 0.00100 -0.00100 OD(mz) 0.01500 0.02100 0.01500 -0.00200 0.00200 -0.00300