data_global _chemical_name_mineral 'Petersite-(Ce)' loop_ _publ_author_name 'Morrison S M' 'Domanik K J' 'Yang H' 'Downs R T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 54 _journal_year 2016 _journal_page_first 1505 _journal_page_last 1511 _publ_section_title ; Petersite-(Ce), Cu2+6Ce(PO4)3(OH)6*3H2O, a new mixite group mineral from Yavapai County, Arizona, USA ; _database_code_amcsd 0020978 _chemical_compound_source 'Yavapai County, Arizona, USA' _chemical_formula_sum 'Ce.18 Y.16 La.12 Nd.09 Gd.03 Pr.02 Dy.01 Sm.01 Ca.42 Cu6 (P2.85 Si.15) O21 H12' _cell_length_a 13.2197 _cell_length_b 13.2197 _cell_length_c 5.8591 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 886.757 _exptl_crystal_density_diffrn 3.440 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-y,-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 Ce 0.66667 0.33333 0.25000 0.18000 0.00920 Y 0.66667 0.33333 0.25000 0.16000 0.00920 La 0.66667 0.33333 0.25000 0.12000 0.00920 Nd 0.66667 0.33333 0.25000 0.09000 0.00920 Gd 0.66667 0.33333 0.25000 0.03000 0.00920 Pr 0.66667 0.33333 0.25000 0.02000 0.00920 Dy 0.66667 0.33333 0.25000 0.01000 0.00920 Sm 0.66667 0.33333 0.25000 0.01000 0.00920 Ca 0.66667 0.33333 0.25000 0.42000 0.00920 Cu 0.41203 0.31488 0.50330 1.00000 0.01122 P 0.49310 0.14867 0.75000 0.95000 0.00660 Si 0.49310 0.14867 0.75000 0.05000 0.00660 O1 0.39040 0.40420 0.25000 1.00000 0.01190 O2 0.41790 0.21050 0.75000 1.00000 0.01060 O3 0.56670 0.17840 0.53550 1.00000 0.01270 O-H1 0.36410 0.37470 0.75000 1.00000 0.00950 O-H2 0.44470 0.24800 0.25000 1.00000 0.01530 Wat 0.13200 0.16000 0.12400 0.50000 0.27300 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 Ce 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Y 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 La 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Nd 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Gd 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Pr 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Dy 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Sm 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Ca 0.00970 0.00970 0.00820 0.00483 0.00000 0.00000 Cu 0.01930 0.01470 0.00540 0.01280 0.00060 0.00030 P 0.00790 0.00650 0.00510 0.00330 0.00000 0.00000 Si 0.00790 0.00650 0.00510 0.00330 0.00000 0.00000 O1 0.01500 0.01600 0.00800 0.01000 0.00000 0.00000 O2 0.01700 0.01100 0.00800 0.01000 0.00000 0.00000 O3 0.01510 0.01220 0.01160 0.00750 0.00440 0.00120 O-H1 0.01400 0.01700 0.00300 0.01200 0.00000 0.00000 O-H2 0.03000 0.01900 0.00400 0.01700 0.00000 0.00000