data_global _chemical_name_mineral 'Gorceixite' loop_ _publ_author_name 'Radoslovich E W' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1982 _journal_year 1982 _journal_page_first 446 _journal_page_last 464 _publ_section_title ; Refinement of gorceixite structure in Cm ; _database_code_amcsd 0014770 _chemical_compound_source 'New South Wales' _chemical_formula_sum 'Ba Al3 P2 O14 H7' _cell_length_a 12.225 _cell_length_b 7.040 _cell_length_c 7.055 _cell_angle_alpha 90 _cell_angle_beta 125.39 _cell_angle_gamma 90 _cell_volume 494.992 _exptl_crystal_density_diffrn 3.430 _symmetry_space_group_name_H-M 'C 1 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,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_U_iso_or_equiv Ba1 0.00000 0.00000 0.00000 0.00671 Al1 0.99420 0.00000 0.48920 0.00469 Al2 0.75060 0.23640 0.49730 0.00443 P1 0.29850 0.00000 0.89430 0.00861 P12 0.69700 0.00000 0.09140 0.00431 O-H1 0.39370 0.00000 0.17720 0.00507 O12 0.61350 0.00000 0.83960 0.01102 O2 0.15830 0.00000 0.82180 0.00823 O22 0.85170 0.00000 0.19000 0.00697 O3 0.33410 0.18090 0.82300 0.01051 O33 0.67450 0.17450 0.19560 0.00823 O-h1 0.26800 0.00000 0.41800 0.00899 O-h12 0.73590 0.00000 0.57960 0.01254 O-H2 0.92260 0.18750 0.59060 0.00443 O-H22 0.07420 0.19130 0.42670 0.00621 H1 0.27000 0.00000 0.28000 ? H2 0.72000 0.00000 0.68000 ? 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 Ba1 0.07548 0.00653 0.00486 0.00000 0.00319 0.00000