data_global _chemical_name_mineral 'Sincosite' loop_ _publ_author_name 'Kang H Y' 'Lee W C' 'Wang S L' _journal_name_full 'Inorganic Chemistry' _journal_volume 31 _journal_year 1992 _journal_page_first 4743 _journal_page_last 4748 _publ_section_title ; Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) ; _database_code_amcsd 0012705 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca V2 P2 O14 H8' _cell_length_a 6.3484 _cell_length_b 6.350 _cell_length_c 6.597 _cell_angle_alpha 106.81 _cell_angle_beta 94.09 _cell_angle_gamma 90.02 _cell_volume 253.867 _exptl_crystal_density_diffrn 2.852 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.65020 0.90100 0.49830 0.01570 V1 0.34220 0.86250 0.94130 0.00580 V2 0.85040 0.42920 0.12180 0.00590 P1 0.34250 0.39780 0.03670 0.00610 P2 0.84300 0.89870 0.02350 0.00560 O1 0.38390 0.92410 0.19440 0.01200 O2 0.35080 0.53420 0.87750 0.01000 O3 0.03130 0.82790 0.88760 0.01000 O4 0.31420 0.15890 0.89910 0.01100 O5 0.64730 0.87430 0.86530 0.00900 O6b 0.30900 0.77440 0.56080 0.01200 H6A 0.25990 0.88970 0.55310 0.05000 H6B 0.25170 0.65060 0.45370 0.05000 O7 0.83540 0.35710 -0.12990 0.01700 O8 0.81920 0.75600 0.17380 0.00870 O9 0.16320 0.46870 0.18680 0.00990 O10 0.54590 0.43440 0.18750 0.01000 O11 0.87080 0.13510 0.17200 0.00980 O12b 0.85160 0.55970 0.50170 0.01400 H12A 0.77240 0.46340 0.54010 0.05000 H12B 0.97180 0.51090 0.53690 0.05000 O13b 0.53400 0.27010 0.53420 0.01600 H13A 0.41240 0.35350 0.62350 0.05000 H13B 0.53880 0.32560 0.41910 0.05000 O14b 0.00790 0.06240 0.54030 0.01700 H14A 0.00780 0.15220 0.46070 0.05000 H14B 0.07060 -0.03560 0.46310 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 Ca 0.01360 0.02200 0.01470 0.00700 0.00610 0.00920 V1 0.00600 0.00540 0.00610 0.00140 0.00070 0.00140 V2 0.00610 0.00590 0.00580 0.00140 0.00060 0.00120 P1 0.00540 0.00630 0.00690 0.00100 -0.00030 0.00240 P2 0.00600 0.00410 0.00590 0.00130 0.00090 0.00050 O1 0.01270 0.01450 0.00730 0.00080 0.00080 0.00070 O2 0.01710 0.00550 0.00860 0.00300 0.00260 0.00260 O3 0.00610 0.01290 0.01030 0.00150 0.00200 0.00090 O4 0.01620 0.00620 0.01020 0.00220 0.00120 0.00270 O5 0.00580 0.01240 0.00990 0.00310 0.00120 0.00320 O6b 0.01310 0.01270 0.00900 0.00390 0.00030 0.00220 O7 0.01980 0.01920 0.01040 0.00700 0.00200 0.00340 O8 0.00870 0.00720 0.00950 0.00180 0.00280 0.00210 O9 0.00500 0.01160 0.01150 0.00210 0.00060 0.00190 O10 0.00650 0.01470 0.01060 0.00180 0.00110 0.00530 O11 0.01570 0.00370 0.00900 0.00070 -0.00120 0.00030 O12b 0.01360 0.01540 0.01210 -0.00090 0.00150 0.00470 O13b 0.02100 0.01610 0.01010 0.00150 0.00190 0.00120 O14b 0.01840 0.01910 0.01290 0.00820 0.00140 0.00290