Four Isomorphous Phosphates AM3P4O14 (A = Sr, Ba; M = Co, Mn) with Antiferromagnetic-Antiferromagnetic-Ferromagnetic Trimerized Chains, Showing 1/3 Quantum Magnetization Plateaus Only in the Manganese(II) System
Tao Yang; Yan Zhang; Sihai Yang; Guobao Li; Ming Xiong; Fuhui Liao; Jianhua Lin; Inorganic Chemistry 47 (2008) 2562–2568; doi:10.1021/ic702346e

data_4304775
_publ_section_title
;
Four Isomorphous Phosphates AM3P4O14 (A = Sr, Ba; M = Co, Mn) with
Antiferromagnetic-Antiferromagnetic-Ferromagnetic Trimerized Chains,
Showing 1/3 Quantum Magnetization Plateaus Only in the Manganese(II) System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2562
_journal_page_last               2568
_journal_paper_doi               10.1021/ic702346e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'Co3 O14 P4 Ba'
_chemical_formula_sum            'Ba Co3 O14 P4'
_chemical_formula_weight         662.00
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.70(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.5749(15)
_cell_length_b                   7.8349(16)
_cell_length_c                   9.6343(19)
_cell_measurement_temperature    293(2)
_cell_volume                     527.5(2)
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'APEX-CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4830
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.50
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    9.014
_exptl_absorpt_correction_T_max  0.11
_exptl_absorpt_correction_T_min  0.05
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    4.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.124
_refine_diff_density_min         -0.832
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       0.0259(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.1500P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0593
_reflns_number_gt                1844
_reflns_number_total             1949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702346e-file003_1.cif
_cod_data_source_block           BaCo3P4O14
_cod_database_code               4304775