data_global _amcsd_formula_title 'NaCoHP2O7' loop_ _publ_author_name 'Guesmi A' 'Driss A' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i108 _journal_page_last i110 _publ_section_title ; Sodium cobalt(II) hydrogendiphosphate, NaCoHP2O7 ; _database_code_amcsd 0010391 _chemical_formula_sum 'Na Co P2 O7 H' _cell_length_a 6.5629 _cell_length_b 6.6430 _cell_length_c 6.5309 _cell_angle_alpha 112.600 _cell_angle_beta 87.935 _cell_angle_gamma 96.140 _cell_volume 261.354 _exptl_crystal_density_diffrn 3.264 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Na 0.65820 0.75940 0.30200 0.65000 0.02420 Na* 0.61300 0.74040 0.22100 0.35000 0.02300 Co 0.14557 0.38935 0.28318 1.00000 0.00892 P1 0.12068 0.86406 0.16792 1.00000 0.00787 P2 0.64276 0.28014 0.25330 1.00000 0.00711 O1 0.82740 0.44640 0.36300 1.00000 0.00990 O2 0.11390 0.09600 0.33120 1.00000 0.01240 O3 0.46430 0.39130 0.22150 1.00000 0.01300 O4 0.21020 0.72020 0.27640 1.00000 0.01280 O5 0.92290 0.74750 0.04890 1.00000 0.01160 O6 0.71170 0.12090 0.01360 1.00000 0.01110 O7 0.58900 0.12720 0.37910 1.00000 0.01110 H 0.26200 0.78000 0.39700 1.00000 0.05000 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 Na 0.02600 0.01620 0.03100 0.00570 0.01400 0.00930 Na' 0.02000 0.01450 0.03200 0.00070 0.01200 0.00800 Co 0.00891 0.00918 0.00716 0.00045 -0.00017 0.00158 P1 0.00880 0.00800 0.00600 0.00102 0.00036 0.00190 P2 0.00750 0.00710 0.00600 0.00080 0.00021 0.00170 O1 0.00910 0.00980 0.00800 -0.00180 0.00030 0.00120 O2 0.01620 0.00930 0.01020 0.00250 0.00360 0.00200 O3 0.00980 0.01370 0.01630 0.00220 0.00030 0.00640 O4 0.01860 0.01010 0.01010 0.00140 -0.00410 0.00400 O5 0.01040 0.01570 0.00770 0.00030 -0.00080 0.00350 O6 0.01180 0.01080 0.00700 -0.00080 0.00270 0.00030 O7 0.01380 0.01130 0.00940 -0.00110 -0.00150 0.00560