Crystal structures of trigadolinium tetraphosphidoheptapalladate, Gd~3~Pd~7~P~4~, and triterbium tetraphosphidohepta-palladate, Tb~3~Pd~7~P~4~
Budnyk, S.; Prots, Yu.; Kuz'ma, Yu. B.; Grin, Yu.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 238–240; doi:

data_8102941
_publ_section_title
;
Crystal structures of trigadolinium tetraphosphidoheptapalladate, 
Gd~3~Pd~7~P~4~, and triterbium tetraphosphidohepta-palladate, Tb~3~Pd~7~P~4~
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_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              238
_journal_page_last               240
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Gd3 P4 Pd7'
_chemical_formula_weight         1340.45
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2006-05-15T22:30:03-00:00
_audit_creation_method           manual
_cell_angle_alpha                90.0000(0)
_cell_angle_beta                 125.86(1)
_cell_angle_gamma                90.0000(0)
_cell_formula_units_Z            2
_cell_length_a                   15.348(3)
_cell_length_b                   3.999(1)
_cell_length_c                   9.386(2)
_cell_measurement_temperature    293(2)
_cell_volume                     466.89(19)
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295.1500
_diffrn_measurement_details
;
scan:
 Number of images: 400
            Slice: 0.0000 - 240.0000
      Image width: 0.6000
         Exp time: 100.0000
    Rotation axis: Phi
            Omega: 0.0000
              Chi: 0.0000
              Phi: 0.0000
              XTD: 39.8300
           2theta: -20.0000
scan:
 Number of images: 100
            Slice: -35.0000 - 25.0000
      Image width: 0.6000
         Exp time: 100.0000
    Rotation axis: Omega
            Omega: 0.0000
              Chi: -90.0000
              Phi: 5.0000
              XTD: 39.6872
           2theta: -20.0000
;
_diffrn_measurement_device       'Rigaku AFC-7'
_diffrn_radiation_detector       'Mercury CCD'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2032
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         32.69
_diffrn_reflns_theta_min         2.68
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    34.72
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6464
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    9.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism-like
_exptl_crystal_F_000             1148.0
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_ls_extinction_coef       0.00034(13)
_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   1.120
_refine_ls_matrix_type           full
_refine_ls_number_parameters     46
_refine_ls_number_reflns         741
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_gt           0.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.056
_reflns_number_gt                741
_reflns_number_total             779
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409873.cff
_cod_data_source_block           Gd3Pd7P4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-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 1555 2011-01-17 13:19:09Z saulius 
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_cod_original_cell_volume        466.8(1)
_cod_original_sg_symbol_H-M      C12/m1
_cod_original_formula_sum        'Gd3 Pd7 P4'
_cod_database_code               8102941