data_1 _chemical_formula_sum 'C4 H12 Ca1 O10' _chemical_formula_moiety ; C4 H4 O6 2-,Ca1 2+,4(H2 O1) ; _journal_volume 38 _journal_year 1982 _journal_page_first 2461 _journal_name_full 'Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. ' loop_ _publ_author_name "F.C.Hawthorne" "I.Borys" "R.B.Ferguson" _chemical_name_systematic ; Calcium tartrate tetrahydrate ; _cell_volume 938.350 _exptl_crystal_density_diffrn 1.84 _diffrn_special_details ; The study was carried out at room temperature,in the range 283-303K ; _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_Int_Tables_number 19 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2+x,1/2-y,-z 3 -x,1/2+y,1/2-z 4 1/2-x,-y,1/2+z _cell_length_a 9.631(2) _cell_length_b 10.573(3) _cell_length_c 9.215(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 loop_ _atom_type_symbol _atom_type_radius_bond C 0.68 H 0.23 Ca 0.99 O 0.68 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 Ca 0.31773 0.67721 0.18649 C1 C 0.64950 0.70270 0.10850 C2 C 0.65960 0.72730 0.27160 C3 C 0.72190 0.85840 0.29710 C4 C 0.73850 0.89280 0.45770 O1 O 0.53160 0.67300 0.05780 O2 O 0.75840 0.71540 0.03770 O3 O 0.52630 0.71570 0.33690 O4 O 0.64160 0.95450 0.22680 O5 O 0.76280 0.80860 0.54810 O6 O 0.73190 1.01030 0.48500 O7 O 0.83600 0.59010 0.77350 O8 O 0.43450 0.33040 0.69330 O9 O 0.58550 0.42700 0.92540 O10 O 0.42420 0.06350 0.92990 H1 H 0.80000 0.56900 0.86400 H2 H 0.94800 0.57400 0.76900 H3 H 0.47300 0.34300 0.76700 H4 H 0.48600 0.27200 0.64000 H5 H 0.55200 0.50000 0.96500 H6 H 0.59300 0.37800 0.99000 H7 H 0.44900 -0.00400 0.89500 H8 H 0.35900 0.09400 0.87000 H9 H 0.72600 0.67600 0.31700 H10 H 0.82800 0.85600 0.25400 H11 H 0.53400 0.68300 0.40000 H12 H 0.68000 0.97000 0.15000 data_2 _chemical_formula_sum 'C4 H12 Ca1 O10' _chemical_formula_moiety ; C4 H4 O6 2-,Ca1 2+,4(H2 O1) ; _journal_volume 205 _journal_year 1993 _journal_page_first 348 _journal_name_full 'Z.Kristallogr. ' loop_ _publ_author_name "R.Boese" "O.Heinemann" _chemical_name_systematic ; Calcium tartrate tetrahydrate ; _cell_volume 921.878 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_Int_Tables_number 19 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2+x,1/2-y,-z 3 -x,1/2+y,1/2-z 4 1/2-x,-y,1/2+z _cell_length_a 9.170(2) _cell_length_b 9.559(2) _cell_length_c 10.517(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 loop_ _atom_type_symbol _atom_type_radius_bond C 0.68 H 0.23 Ca 0.99 O 0.68 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 Ca -0.18647(4) 0.31703(4) 0.32354 C1 C 0.45910(21) 0.23679(20) 0.39120(19) C2 C 0.29797(23) 0.22073(20) 0.35678(19) H1 H 0.2510(44) 0.3067(37) 0.3648(34) C3 C 0.27222(22) 0.16014(21) 0.22483(20) H2 H 0.3211(49) 0.2313(43) 0.1637(43) C4 C 0.10773(23) 0.14959(23) 0.20113(18) O1 O 0.54987(16) 0.26146(16) 0.30566(15) O2 O 0.48712(17) 0.23134(18) 0.50900(16) O3 O 0.22747(17) 0.13944(16) 0.45340(14) H3 H 0.1485(41) 0.1555(34) 0.4602(31) O4 O 0.33793(17) 0.02537(15) 0.21275(14) O5 O 0.03590(17) 0.25863(17) 0.21502(15) H4? H -0.0798(62) 0.2025(46) 0.3554(53) O6 O 0.05587(17) 0.03135(16) 0.17008(16) O7 O -0.22621(18) 0.33592(19) 0.09013(15) H5 H -0.1429(65) 0.3112(52) 0.070(5) H6 H -0.2556(46) 0.4117(47) 0.0671(37) O8 O -0.18979(21) 0.06244(18) 0.33650(18) H7 H -0.2601(46) 0.0215(43) 0.3414(41) H8 H -0.1435(43) 0.0254(37) 0.2948(36) O9 O -0.42736(23) 0.07327(23) 0.06344(20) H9 H -0.4001(39) 0.0342(39) 0.0114(39) H10 H -0.3764(45) 0.1487(45) 0.0750(36) O10 O 0.07160(18) 0.58449(18) 0.57599(17) H11 H 0.0281(28) 0.5570(26) 0.5083(29) H12 H -0.0126(47) 0.6364(44) 0.6347(44)