data_global _chemical_name_mineral 'Loveringite' loop_ _publ_author_name 'Gatehouse B M' 'Grey I E' 'Campbell I H' 'Kelly P R' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 28 _journal_page_last 36 _publ_section_title ; The crystal structure of loveringite - a new member of the crichtonite group ; _database_code_amcsd 0000609 _chemical_formula_sum 'Ca.72 La.33 U.05 Zr.58 Mg.92 Fe3.43 Cr2.238 V.21 Ti12.474 Al.384 O38' _cell_length_a 9.117 _cell_length_b 9.117 _cell_length_c 9.117 _cell_angle_alpha 69.07 _cell_angle_beta 69.07 _cell_angle_gamma 69.07 _cell_volume 637.788 _exptl_crystal_density_diffrn 4.416 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' 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 Ca0 0.00000 0.00000 0.00000 0.72000 0.02672 La0 0.00000 0.00000 0.00000 0.23000 0.02672 U0 0.00000 0.00000 0.00000 0.05000 0.02672 Zr1 0.50000 0.50000 0.50000 0.58000 0.00975 La1 0.50000 0.50000 0.50000 0.10000 0.00975 Mg1 0.50000 0.50000 0.50000 0.32000 0.00975 Mg2 0.31090 0.31090 0.31090 0.30000 0.00874 Fe2 0.31090 0.31090 0.31090 0.62000 0.00874 Cr3 0.34754 0.12318 0.02156 0.37300 0.00912 V3 0.34754 0.12318 0.02156 0.03500 0.00912 Fe3 0.34754 0.12318 0.02156 0.36500 0.00912 Ti3 0.34754 0.12318 0.02156 0.14300 0.00912 Ti4 0.30841 0.72081 0.14588 0.96800 0.00798 Al4 0.30841 0.72081 0.14588 0.03200 0.00798 Ti5 0.47612 0.08155 0.63977 0.96800 0.00950 Al5 0.47612 0.08155 0.63977 0.03200 0.00950 O1 0.30580 0.62690 0.38010 1.00000 0.01165 O2 0.15230 0.23780 0.93930 1.00000 0.01444 O3 0.92110 0.45710 0.30020 1.00000 0.00595 O4 0.14270 0.51490 0.99080 1.00000 0.01469 O5 0.39010 0.48960 0.13450 1.00000 0.01406 O6 0.71040 0.24100 0.06990 1.00000 0.00697 O7 0.21200 0.21200 0.21200 1.00000 0.00697