data_global _amcsd_formula_title 'Ca2 O7 P2' loop_ _publ_author_name 'Boudin S' 'Grandin A' 'Borel M' 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 49 _journal_year 1993 _journal_page_first 2062 _journal_page_last 2064 _publ_section_title ; Redetermination of the beta-Ca2P2O7 structure _cod_database_code 1001556 ; _database_code_amcsd 0010288 _chemical_formula_sum 'Ca2 P2 O7' _cell_length_a 6.6858 _cell_length_b 6.6858 _cell_length_c 24.147 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1079.369 _exptl_crystal_density_diffrn 3.127 _symmetry_space_group_name_H-M 'P 41' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x,1/4+z' '-x,-y,1/2+z' 'y,-x,3/4+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 0.13740 0.23130 0.00000 Ca2 0.15910 0.54470 0.24262 Ca3 0.78950 0.73370 0.13802 Ca4 0.36270 0.10540 0.13548 P1 0.62130 0.30780 0.02345 P2 0.86730 0.25340 0.12431 P3 0.04630 0.71480 0.01863 P4 0.28730 0.64620 0.12074 O1 0.46070 0.15840 0.04260 O2 0.77270 0.19840 -0.01330 O3 0.53030 0.49210 -0.00010 O4 0.73950 0.37760 0.07890 O5 0.73640 0.08730 0.14690 O6 0.05190 0.17690 0.09530 O7 0.89940 0.40880 0.16950 O8 0.85370 0.79070 0.04330 O9 0.18550 0.87950 -0.00110 O10 0.02290 0.55420 -0.02490 O11 0.15820 0.58730 0.06660 O12 0.34500 0.45260 0.14740 O13 0.46220 0.77560 0.10150 O14 0.14740 0.77220 0.15720