#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2003252.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2003252 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 348 _journal_page_last 350 _publ_section_title ; Eu~2~(PO~3~H)~3~ ; _chemical_formula_moiety 'Eu2 (P1 O3 H1 )3' _chemical_formula_sum 'H3 Eu2 O9 P3' _chemical_formula_weight 543,8 loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' 'x,-y,z' '-x,+y,-z' '1/2-x,1/2-y,-z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,z' '1/2+x,1/2-y,z' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_length_a 14.822(3) _cell_length_b 7.055(1) _cell_length_c 10.205(2) _cell_angle_alpha 90 _cell_angle_beta 123.79(1) _cell_angle_gamma 90 _cell_volume 886.9(3) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 4.074 _exptl_crystal_density_meas 4.06(1) _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.71073 _cell_measurement_reflns_used 20 _cell_measurement_theta_min 5 _cell_measurement_theta_max 12.5 _exptl_absorpt_coefficient_mu 14.67 _cell_measurement_temperature 293 _exptl_crystal_description 'parallelepiped' _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.04 _exptl_crystal_size_rad ? _exptl_crystal_colour 'jaune' _chemical_compound_source ? _diffrn_measurement_device 'Siemens P3' _diffrn_measurement_method '\w-2\q' _exptl_absorpt_correction_type 'empirique (Walker & Stuart, 1983)' _exptl_absorpt_correction_T_min 0.59 _exptl_absorpt_correction_T_max 0.83 _diffrn_reflns_number 2180 _reflns_number_total 1099 _reflns_number_observed 945 _reflns_observed_criterion F>=5\s(F) _diffrn_reflns_av_R_equivalents 0.033 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -1 _diffrn_reflns_limit_l_max 13 _diffrn_standards_number 3 _diffrn_standards_interval_count 50 _diffrn_standards_interval_time ? _diffrn_standards_decay_% <3 _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_obs 0.026 _refine_ls_wR_factor_obs 0.032 _refine_ls_goodness_of_fit_obs 3.34 _refine_ls_number_reflns 945 _refine_ls_number_parameters 86 _refine_ls_hydrogen_treatment 'noref' _refine_ls_weighting_scheme '1/[\s^2^(F)+0.000030F^2^]' _refine_ls_shift/esd_max 0.002 _refine_diff_density_max 1.32 _refine_diff_density_min -2.00 _refine_ls_extinction_method aucun _refine_ls_extinction_coef ? _atom_type_scat_source 'IntTabIV' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Eu(1) .16220(4) .0 .09290(5) .0080(2) Eu(2) .27840(4) .5 .31220(5) .0090(2) P(1) .3847(2) .0 .0500(3) .009(1) P(2) .3335(2) .0 .4566(3) .0009(1) P(3) .0025(3) .0546(6) .2755(4) .010(2) O(11) .3517(4) .1722(7) .9391(6) .017(2) O(12) .3338(6) .0 .1427(8) .017(3) O(21) .2775(5) .1708(7) .3486(6) .018(3) O(22) .3319(6) .0 .6022(8) .014(3) O(31) .0275(6) .0 .1517(8) .016(3) O(32) .8819(6) .0 .1967(8) .018(3) O(33) .0753(8) .9611(17) .4332(11) .023(7) H(1) .4940 .0 .1341 .020 H(2) .4377 .0 .5005 .020 H(3) .0105 .2453 .2789 .020