Crystal Structure and a Giant Magnetoresistance Effect in the New Zintl Compound Eu3Ga2P4
Naohito Tsujii; Catherine A. Uvarov; Peter Klavins; Tanghong Yi; Susan M. Kauzlarich; Inorganic Chemistry 51 (2012) 2860–2866; doi:10.1021/ic202018r

data_4328480
_publ_contact_author_address
;
National Institute for Materials Science, Sengen 1-2-1, Tsukuba 305-0047, Japan
;
_publ_contact_author_email
'tsujii.naohito@nims.go.jp, smkauzlarich@ucdavis.edu'
_publ_contact_author_name        'Naohito Tsujii'
_publ_section_title
;
 Crystal Structure and a Giant Magnetoresistance Effect in the New Zintl
 Compound Eu3Ga2P4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2860
_journal_page_last               2866
_journal_paper_doi               10.1021/ic202018r
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'Eu3 Ga2 P4'
_chemical_formula_sum            'Eu3 Ga2 P4'
_chemical_formula_weight         719.20
_chemical_name_common            Eu3Ga2P4
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-01-18 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.2430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0245(12)
_cell_length_b                   10.1167(10)
_cell_length_c                   6.5580(6)
_cell_measurement_reflns_used    2675
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.84
_cell_measurement_theta_min      4.03
_cell_volume                     864.11(14)
_computing_cell_refinement       'Bruker Saint'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Crystal Maker 7.1'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  SMART1000
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4663
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    28.256
_exptl_absorpt_correction_T_max  0.5626
_exptl_absorpt_correction_T_min  0.2733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.1 (Sheldrick, 2003)'
_exptl_crystal_colour            Metallic-Grey
_exptl_crystal_density_diffrn    5.528
_exptl_crystal_description       Flake
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.528
_refine_diff_density_min         -1.401
_refine_diff_density_rms         0.300
_refine_ls_extinction_coef       0.00036(6)
_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   1.070
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+1.1065P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0545
_reflns_number_gt                921
_reflns_number_total             1002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202018r_si_002.cif
_cod_data_source_block           n090114a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4328480