data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = .0001 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.7397 _cell_length_b 8.9174 _cell_length_c 5.2503 _cell_angle_alpha 90 _cell_angle_beta 105.866 _cell_angle_gamma 90 _cell_volume 438.631 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30148 0.25000 0.00823 MgM1 0.00000 0.90808 0.25000 0.00393 SiT 0.28619 0.09319 0.22936 0.00431 O1 0.11554 0.08690 0.14186 0.00697 O2 0.36094 0.25019 0.31776 0.00785 O3 0.35073 0.01744 0.99543 0.00709 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = .13 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.7377 _cell_length_b 8.9151 _cell_length_c 5.2494 _cell_angle_alpha 90 _cell_angle_beta 105.851 _cell_angle_gamma 90 _cell_volume 438.386 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30167 0.25000 0.01039 MgM1 0.00000 0.90811 0.25000 0.00583 SiT 0.28615 0.09324 0.22913 0.00646 O1 0.11566 0.08721 0.14245 0.00950 O2 0.36112 0.25050 0.31808 0.01013 O3 0.35099 0.01778 0.99527 0.00874 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 2.32 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.6808 _cell_length_b 8.8488 _cell_length_c 5.2180 _cell_angle_alpha 90 _cell_angle_beta 105.606 _cell_angle_gamma 90 _cell_volume 430.513 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30270 0.25000 0.00912 MgM1 0.00000 0.90867 0.25000 0.00469 SiT 0.28626 0.09370 0.22834 0.00545 O1 0.11547 0.08705 0.14258 0.00785 O2 0.36079 0.25183 0.31872 0.00899 O3 0.35156 0.01943 0.99227 0.00760 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 4.22 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.6341 _cell_length_b 8.7948 _cell_length_c 5.1926 _cell_angle_alpha 90 _cell_angle_beta 105.421 _cell_angle_gamma 90 _cell_volume 424.129 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30368 0.25000 0.01077 MgM1 0.00000 0.90951 0.25000 0.00621 SiT 0.28618 0.09426 0.22772 0.00747 O1 0.11512 0.08768 0.14162 0.00975 O2 0.36057 0.25337 0.31985 0.01140 O3 0.35221 0.02031 0.99045 0.00975 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 5.11 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.6135 _cell_length_b 8.7695 _cell_length_c 5.1813 _cell_angle_alpha 90 _cell_angle_beta 105.337 _cell_angle_gamma 90 _cell_volume 421.256 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30411 0.25000 0.00849 MgM1 0.00000 0.90961 0.25000 0.00481 SiT 0.28607 0.09451 0.22734 0.00595 O1 0.11566 0.08821 0.14191 0.00811 O2 0.35967 0.25385 0.31975 0.00849 O3 0.35316 0.02091 0.99051 0.00836 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 7.08 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.5731 _cell_length_b 8.7197 _cell_length_c 5.1580 _cell_angle_alpha 90 _cell_angle_beta 105.203 _cell_angle_gamma 90 _cell_volume 415.493 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30480 0.25000 0.00899 MgM1 0.00000 0.90984 0.25000 0.00507 SiT 0.28616 0.09503 0.22743 0.00608 O1 0.11519 0.08817 0.14212 0.00785 O2 0.35924 0.25493 0.32145 0.00912 O3 0.35263 0.02196 0.98889 0.00874 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 8.01 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.5557 _cell_length_b 8.6951 _cell_length_c 5.1474 _cell_angle_alpha 90 _cell_angle_beta 105.148 _cell_angle_gamma 90 _cell_volume 412.826 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30528 0.25000 0.00925 MgM1 0.00000 0.90998 0.25000 0.00519 SiT 0.28595 0.09523 0.22701 0.00646 O1 0.11494 0.08890 0.14173 0.00874 O2 0.35903 0.25554 0.32144 0.00975 O3 0.35425 0.02211 0.98887 0.00823 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 8.88 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.5391 _cell_length_b 8.6752 _cell_length_c 5.1385 _cell_angle_alpha 90 _cell_angle_beta 105.106 _cell_angle_gamma 90 _cell_volume 410.536 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30559 0.25000 0.00874 MgM1 0.00000 0.91042 0.25000 0.00519 SiT 0.28632 0.09520 0.22734 0.00633 O1 0.11525 0.08839 0.14192 0.00735 O2 0.35930 0.25638 0.32204 0.00899 O3 0.35290 0.02239 0.98742 0.00849 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 9.50 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.5270 _cell_length_b 8.6587 _cell_length_c 5.1306 _cell_angle_alpha 90 _cell_angle_beta 105.067 _cell_angle_gamma 90 _cell_volume 408.681 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30588 0.25000 0.00887 MgM1 0.00000 0.91060 0.25000 0.00494 SiT 0.28614 0.09547 0.22733 0.00633 O1 0.11520 0.08809 0.14222 0.00823 O2 0.35914 0.25645 0.32137 0.00861 O3 0.35342 0.02336 0.98756 0.00823 END data_global _chemical_name 'Diopside' loop_ _publ_author_name 'Downs R T' 'Thompson R M' _journal_name_full "American Mineralogist" _publ_section_title ; The crystal structure of diopside to 10 GPa Sample: P = 10.16 GPa ; _chemical_formula_sum 'Ca Mg Si2 O6' _cell_length_a 9.5164 _cell_length_b 8.6449 _cell_length_c 5.1246 _cell_angle_alpha 90 _cell_angle_beta 105.033 _cell_angle_gamma 90 _cell_volume 407.164 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv CaM2 0.00000 0.30587 0.25000 0.00849 MgM1 0.00000 0.91075 0.25000 0.00557 SiT 0.28610 0.09554 0.22718 0.00595 O1 0.11538 0.08832 0.14178 0.00722 O2 0.35921 0.25714 0.32226 0.00861 O3 0.35409 0.02340 0.98725 0.00849 END