Complex Magnetic Ordering in Eu3InP3: A New Rare Earth Metal Zintl Compound
Jiong Jiang; Amy C. Payne; Marilyn M. Olmstead; Han-oh Lee; Peter Klavins; Zachary Fisk; Susan M. Kauzlarich; Raphaël P. Hermann; Fernande Grandjean; Gary J. Long; Inorganic Chemistry 44 (2005) 2189–2197; doi:10.1021/ic048507o

data_4308974
_publ_contact_author_name        'Susan M. Kauzlarich'
_publ_section_title
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Complex Magnetic Ordering in Eu3InP3: A New Rare Earth Metal Zintl
Compound
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2189
_journal_page_last               2197
_journal_paper_doi               10.1021/ic048507o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'Eu3 In P3'
_chemical_formula_sum            'Eu3 In P3'
_chemical_formula_weight         663.61
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6517(15)
_cell_length_b                   4.2683(5)
_cell_length_c                   13.5643(14)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      2.5
_cell_volume                     732.49(14)
_computing_cell_refinement       'Siemens P3-PC'
_computing_data_collection       'Siemens P3-PC (1991)'
_computing_data_reduction        'Siemens XDISK (1991)'
_computing_molecular_graphics    'SHELXTL 5.03, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P3'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4769
_diffrn_reflns_theta_full        31.51
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    28.975
_exptl_absorpt_correction_T_max  0.615
_exptl_absorpt_correction_T_min  0.148
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'XPREP (Sheldrick, 1994)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.018
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.338
_refine_diff_density_min         -3.812
_refine_diff_density_rms         0.720
_refine_ls_extinction_coef       0.0027(3)
_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   1.051
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0624P)^2^+5.5788P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                1248
_reflns_number_total             1365
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic048507osi20050110_013302.cif
_cod_data_source_block           ap21a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'psi scan' changed to
'psi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_database_code               4308974