data_global _chemical_name_mineral 'Florencite-(Ce)' loop_ _publ_author_name 'Kato T' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1990 _journal_year 1990 _journal_page_first 227 _journal_page_last 231 _publ_section_title ; The crystal structure of florencite ; _database_code_amcsd 0014842 _chemical_compound_source 'Backbone Ranges of Mackenzie Mountains, Northwest Territories, Canada' _chemical_formula_sum 'Al3 (Ce.54 La.27 Nd.11 Sm.04 Ca.04) P2 O14 H6' _cell_length_a 6.972 _cell_length_b 6.972 _cell_length_c 16.261 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 684.530 _exptl_crystal_density_diffrn 3.708 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Al 0.50000 0.50000 0.50000 1.00000 0.00443 Ce 0.00000 0.00000 0.00000 0.54000 0.01013 La 0.00000 0.00000 0.00000 0.27000 0.01013 Nd 0.00000 0.00000 0.00000 0.11000 0.01013 Sm 0.00000 0.00000 0.00000 0.04000 0.01013 Ca 0.00000 0.00000 0.00000 0.04000 0.01013 P 0.00000 0.00000 0.31190 1.00000 0.00608 O1 0.00000 0.00000 0.40490 1.00000 0.00861 O2 0.21260 -0.21260 -0.05480 1.00000 0.00811 O-h 0.12430 -0.12430 0.13380 1.00000 0.00798 H 0.19300 -0.19300 0.12200 1.00000 ? 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 Al 0.00111 0.01005 0.00522 0.00502 0.00154 0.00080 Ce 0.01297 0.01297 0.00455 0.00648 0.00000 0.00000 La 0.01297 0.01297 0.00455 0.00648 0.00000 0.00000 Nd 0.01297 0.01297 0.00455 0.00648 0.00000 0.00000 Sm 0.01297 0.01297 0.00455 0.00648 0.00000 0.00000 Ca 0.01297 0.01297 0.00455 0.00648 0.00000 0.00000 P 0.00709 0.00709 0.00429 0.00355 0.00000 0.00000 O1 0.01119 0.01119 0.00335 0.00560 0.00000 0.00000 O2 0.01090 0.01090 0.00522 0.00735 -0.00045 0.00045 O-h 0.00643 0.00643 0.00871 0.00146 0.00104 -0.00104