Comparison of the Crystal Structures and Magnetic Properties of the Low- and High-Temperature Forms of AgCuPO4: Crystal Structure Determination, Magnetic Susceptibility Measurements, and Spin Dimer Analysis
Ben Yahia, Hamdi; Gaudin, Etienne; Darriet, Jacques; Dai, Dadi; Whangbo, Myung-Hwan; Inorganic Chemistry 45 (2006) 5501–5509; doi:10.1021/ic060484l

data_4332531
_publ_section_title
;
 Comparison of the Crystal Structures and Magnetic Properties of the Low-
 and High-Temperature Forms of AgCuPO4:&#x00A0; Crystal Structure
 Determination, Magnetic Susceptibility Measurements, and Spin Dimer
 Analysis
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5501
_journal_page_last               5509
_journal_paper_doi               10.1021/ic060484l
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'Ag1 Cu1 O4 P1'
_chemical_formula_sum            'Ag Cu O4 P'
_chemical_formula_weight         266.4
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.0673(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.83650(10)
_cell_length_b                   5.62685(7)
_cell_length_c                   7.49381(10)
_cell_measurement_temperature    293
_cell_volume                     326.309(7)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Philips X-Pert'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54051
_exptl_absorpt_coefficient_mu    60.741
_exptl_absorpt_process_details   '(Jana2000; Petricek and Dusek, 2000)'
_exptl_crystal_density_diffrn    5.4206
_exptl_crystal_F_000             492
_pd_char_colour                  green
_pd_meas_2theta_range_inc        0.008
_pd_meas_2theta_range_max        119.960
_pd_meas_2theta_range_min        6.008
_pd_meas_number_of_points        14245
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.008
_pd_proc_2theta_range_max        119.96
_pd_proc_2theta_range_min        6.008
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0953
_pd_proc_ls_prof_wR_expected     0.0812
_pd_proc_ls_prof_wR_factor       0.1280
_pd_spec_size_axial              0.32
_pd_spec_size_equat              0.32
_pd_spec_size_thick              0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.58
_refine_ls_number_parameters     38
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.0485
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0421
_refine_ls_wR_factor_ref         0.0421
_cod_data_source_file            ic060484lsup1.cif
_cod_data_source_block           (I)
_cod_original_cell_volume        326.309(5)
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_formula_sum        'Ag1 Cu1 O4 P1'
_cod_database_code               4332531