#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:29:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179113 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/75/4307585.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4307585
loop_
_publ_author_name
'Samuel J. Mugavero'
'Mark D. Smith'
'Hans-Conrad zur Loye'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, SC  29208
USA
;
_publ_contact_author_email       zurloye@sc.edu
_publ_contact_author_fax         '803 777 8508'
_publ_contact_author_name        'Professor Hans-Conrad zur Loye'
_publ_contact_author_phone       '803 777 6916'
_publ_section_title
;
Crystal Growth and Structural Characterization of the New Ordered
Palladates LnKPdO3 (Ln = La, Pr, Nd, Sm-Gd) and the Isostructural,
Partially Cu-Substituted Palladate PrK(Cu0.14Pd0.86)O3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3116
_journal_page_last               3122
_journal_paper_doi               10.1021/ic062066m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'K Nd O3 Pd'
_chemical_formula_sum            'K Nd O3 Pd'
_chemical_formula_weight         337.74
_chemical_name_systematic
; 
 ? 
;
_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'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.970(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2053(6)
_cell_length_b                   3.9444(2)
_cell_length_c                   7.3711(4)
_cell_measurement_reflns_used    1380
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      32.542
_cell_measurement_theta_min      2.860
_cell_volume                     370.91(3)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3117
_diffrn_reflns_theta_full        32.54
_diffrn_reflns_theta_max         32.54
_diffrn_reflns_theta_min         2.86
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    19.636
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2001)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    6.048
_exptl_crystal_density_meas      6.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.884
_refine_diff_density_min         -1.686
_refine_diff_density_rms         0.332
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         758
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0246
_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/[σ²(Fo²)+(0.0288P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0566
_reflns_number_gt                694
_reflns_number_total             758
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062066msi20061029_033012.cif
_cod_data_source_block           NdKPdO3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4307585
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.65034(2) 0.0000 0.07947(4) 0.00818(10) Uani 1 2 d S . .
Pd1 Pd 0.00657(3) 0.0000 0.77782(6) 0.00726(11) Uani 1 2 d S . .
K1 K 0.35705(11) 0.0000 0.43599(19) 0.0138(3) Uani 1 2 d S . .
O1 O 0.8318(3) 0.0000 0.1326(6) 0.0100(8) Uani 1 2 d S . .
O2 O 0.4937(3) 0.0000 0.1981(6) 0.0109(8) Uani 1 2 d S . .
O3 O 0.1516(3) 0.0000 0.2788(6) 0.0100(8) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Nd1 O2 134.17(14) . 5_655 ?
O1 Nd1 O2 150.42(14) . . ?
O2 Nd1 O2 75.41(16) 5_655 . ?
O1 Nd1 O3 92.98(12) . 3 ?
O2 Nd1 O3 112.95(11) 5_655 3 ?
O2 Nd1 O3 70.22(11) . 3 ?
O1 Nd1 O3 92.98(12) . 3_545 ?
O2 Nd1 O3 112.95(11) 5_655 3_545 ?
O2 Nd1 O3 70.22(11) . 3_545 ?
O3 Nd1 O3 106.78(16) 3 3_545 ?
O1 Nd1 O1 81.37(12) . 7_645 ?
O2 Nd1 O1 70.05(11) 5_655 7_645 ?
O2 Nd1 O1 115.93(10) . 7_645 ?
O3 Nd1 O1 173.85(13) 3 7_645 ?
O3 Nd1 O1 76.10(11) 3_545 7_645 ?
O1 Nd1 O1 81.37(12) . 7_655 ?
O2 Nd1 O1 70.05(11) 5_655 7_655 ?
O2 Nd1 O1 115.93(10) . 7_655 ?
O3 Nd1 O1 76.10(11) 3 7_655 ?
O3 Nd1 O1 173.85(13) 3_545 7_655 ?
O1 Nd1 O1 100.52(14) 7_645 7_655 ?
O1 Nd1 Pd1 121.13(7) . 3_544 ?
O2 Nd1 Pd1 38.121(9) 5_655 3_544 ?
O2 Nd1 Pd1 81.01(8) . 3_544 ?
O3 Nd1 Pd1 145.15(10) 3 3_544 ?
O3 Nd1 Pd1 80.33(9) 3_545 3_544 ?
O1 Nd1 Pd1 40.06(9) 7_645 3_544 ?
O1 Nd1 Pd1 100.47(8) 7_655 3_544 ?
O1 Nd1 Pd1 121.13(7) . 3_554 ?
O2 Nd1 Pd1 38.121(9) 5_655 3_554 ?
O2 Nd1 Pd1 81.01(8) . 3_554 ?
O3 Nd1 Pd1 80.33(9) 3 3_554 ?
O3 Nd1 Pd1 145.15(10) 3_545 3_554 ?
O1 Nd1 Pd1 100.47(8) 7_645 3_554 ?
O1 Nd1 Pd1 40.06(9) 7_655 3_554 ?
Pd1 Nd1 Pd1 76.021(13) 3_544 3_554 ?
O1 Nd1 Pd1 131.71(6) . 7_546 ?
O2 Nd1 Pd1 81.02(8) 5_655 7_546 ?
O2 Nd1 Pd1 37.786(10) . 7_546 ?
O3 Nd1 Pd1 101.61(8) 3 7_546 ?
O3 Nd1 Pd1 38.75(10) 3_545 7_546 ?
O1 Nd1 Pd1 84.05(8) 7_645 7_546 ?
O1 Nd1 Pd1 146.74(9) 7_655 7_546 ?
Pd1 Nd1 Pd1 62.264(14) 3_544 7_546 ?
Pd1 Nd1 Pd1 106.692(11) 3_554 7_546 ?
O1 Nd1 Pd1 131.71(6) . 7_556 ?
O2 Nd1 Pd1 81.02(8) 5_655 7_556 ?
O2 Nd1 Pd1 37.786(10) . 7_556 ?
O3 Nd1 Pd1 38.75(10) 3 7_556 ?
O3 Nd1 Pd1 101.61(8) 3_545 7_556 ?
O1 Nd1 Pd1 146.74(9) 7_645 7_556 ?
O1 Nd1 Pd1 84.05(8) 7_655 7_556 ?
Pd1 Nd1 Pd1 106.692(11) 3_544 7_556 ?
Pd1 Nd1 Pd1 62.264(14) 3_554 7_556 ?
Pd1 Nd1 Pd1 75.338(11) 7_546 7_556 ?
O1 Nd1 K1 97.11(10) . 5_656 ?
O2 Nd1 K1 128.72(10) 5_655 5_656 ?
O2 Nd1 K1 53.31(11) . 5_656 ?
O3 Nd1 K1 53.42(8) 3 5_656 ?
O3 Nd1 K1 53.42(8) 3_545 5_656 ?
O1 Nd1 K1 129.44(7) 7_645 5_656 ?
O1 Nd1 K1 129.44(7) 7_655 5_656 ?
Pd1 Nd1 K1 121.731(18) 3_544 5_656 ?
Pd1 Nd1 K1 121.731(18) 3_554 5_656 ?
Pd1 Nd1 K1 59.478(18) 7_546 5_656 ?
Pd1 Nd1 K1 59.478(18) 7_556 5_656 ?
O2 Pd1 O2 169.7(2) 7_556 7_546 ?
O2 Pd1 O3 89.57(12) 7_556 5_556 ?
O2 Pd1 O3 89.57(12) 7_546 5_556 ?
O2 Pd1 O1 89.84(12) 7_556 5_656 ?
O2 Pd1 O1 89.84(12) 7_546 5_656 ?
O3 Pd1 O1 173.51(18) 5_556 5_656 ?
O2 Pd1 Nd1 48.63(13) 7_556 3_456 ?
O2 Pd1 Nd1 124.45(13) 7_546 3_456 ?
O3 Pd1 Nd1 122.62(8) 5_556 3_456 ?
O1 Pd1 Nd1 53.09(7) 5_656 3_456 ?
O2 Pd1 Nd1 124.45(13) 7_556 3_446 ?
O2 Pd1 Nd1 48.63(13) 7_546 3_446 ?
O3 Pd1 Nd1 122.62(8) 5_556 3_446 ?
O1 Pd1 Nd1 53.09(7) 5_656 3_446 ?
Nd1 Pd1 Nd1 76.019(12) 3_456 3_446 ?
O2 Pd1 Nd1 124.26(12) 7_556 7_546 ?
O2 Pd1 Nd1 49.14(12) 7_546 7_546 ?
O3 Pd1 Nd1 49.55(7) 5_556 7_546 ?
O1 Pd1 Nd1 126.40(7) 5_656 7_546 ?
Nd1 Pd1 Nd1 117.736(14) 3_456 7_546 ?
Nd1 Pd1 Nd1 73.309(11) 3_446 7_546 ?
O2 Pd1 Nd1 49.14(12) 7_556 7_556 ?
O2 Pd1 Nd1 124.26(12) 7_546 7_556 ?
O3 Pd1 Nd1 49.55(7) 5_556 7_556 ?
O1 Pd1 Nd1 126.40(7) 5_656 7_556 ?
Nd1 Pd1 Nd1 73.309(11) 3_456 7_556 ?
Nd1 Pd1 Nd1 117.736(14) 3_446 7_556 ?
Nd1 Pd1 Nd1 75.336(11) 7_546 7_556 ?
O2 Pd1 K1 57.75(12) 7_556 7_556 ?
O2 Pd1 K1 130.27(12) 7_546 7_556 ?
O3 Pd1 K1 123.96(9) 5_556 7_556 ?
O1 Pd1 K1 60.70(9) 5_656 7_556 ?
Nd1 Pd1 K1 70.59(2) 3_456 7_556 ?
Nd1 Pd1 K1 113.41(3) 3_446 7_556 ?
Nd1 Pd1 K1 171.00(3) 7_546 7_556 ?
Nd1 Pd1 K1 105.288(15) 7_556 7_556 ?
O2 Pd1 K1 130.27(12) 7_556 7_546 ?
O2 Pd1 K1 57.75(12) 7_546 7_546 ?
O3 Pd1 K1 123.96(9) 5_556 7_546 ?
O1 Pd1 K1 60.70(9) 5_656 7_546 ?
Nd1 Pd1 K1 113.41(3) 3_456 7_546 ?
Nd1 Pd1 K1 70.59(2) 3_446 7_546 ?
Nd1 Pd1 K1 105.288(15) 7_546 7_546 ?
Nd1 Pd1 K1 171.00(3) 7_556 7_546 ?
K1 Pd1 K1 72.66(3) 7_556 7_546 ?
O2 Pd1 K1 129.02(13) 7_556 3_445 ?
O2 Pd1 K1 58.30(13) 7_546 3_445 ?
O3 Pd1 K1 58.39(9) 5_556 3_445 ?
O1 Pd1 K1 126.25(8) 5_656 3_445 ?
Nd1 Pd1 K1 176.42(2) 3_456 3_445 ?
Nd1 Pd1 K1 106.490(15) 3_446 3_445 ?
Nd1 Pd1 K1 65.69(2) 7_546 3_445 ?
Nd1 Pd1 K1 107.28(2) 7_556 3_445 ?
K1 Pd1 K1 105.92(2) 7_556 3_445 ?
K1 Pd1 K1 65.62(4) 7_546 3_445 ?
O2 Pd1 K1 58.30(13) 7_556 3_455 ?
O2 Pd1 K1 129.02(13) 7_546 3_455 ?
O3 Pd1 K1 58.39(9) 5_556 3_455 ?
O1 Pd1 K1 126.25(8) 5_656 3_455 ?
Nd1 Pd1 K1 106.490(15) 3_456 3_455 ?
Nd1 Pd1 K1 176.42(2) 3_446 3_455 ?
Nd1 Pd1 K1 107.28(2) 7_546 3_455 ?
Nd1 Pd1 K1 65.69(2) 7_556 3_455 ?
K1 Pd1 K1 65.62(4) 7_556 3_455 ?
K1 Pd1 K1 105.92(2) 7_546 3_455 ?
K1 Pd1 K1 70.89(3) 3_445 3_455 ?
O3 K1 O2 118.25(14) . . ?
O3 K1 O2 140.92(13) . 5_656 ?
O2 K1 O2 100.83(12) . 5_656 ?
O3 K1 O3 95.10(11) . 7_556 ?
O2 K1 O3 126.88(9) . 7_556 ?
O2 K1 O3 58.09(10) 5_656 7_556 ?
O3 K1 O3 95.10(11) . 7_546 ?
O2 K1 O3 126.88(9) . 7_546 ?
O2 K1 O3 58.09(10) 5_656 7_546 ?
O3 K1 O3 85.47(12) 7_556 7_546 ?
O3 K1 O1 76.47(11) . 3_445 ?
O2 K1 O1 59.44(10) . 3_445 ?
O2 K1 O1 128.65(9) 5_656 3_445 ?
O3 K1 O1 171.54(13) 7_556 3_445 ?
O3 K1 O1 94.43(8) 7_546 3_445 ?
O3 K1 O1 76.47(11) . 3_455 ?
O2 K1 O1 59.44(10) . 3_455 ?
O2 K1 O1 128.65(9) 5_656 3_455 ?
O3 K1 O1 94.43(8) 7_556 3_455 ?
O3 K1 O1 171.54(13) 7_546 3_455 ?
O1 K1 O1 84.42(11) 3_445 3_455 ?
O3 K1 Pd1 114.17(8) . 7_556 ?
O2 K1 Pd1 36.390(15) . 7_556 ?
O2 K1 Pd1 96.87(7) 5_656 7_556 ?
O3 K1 Pd1 93.87(6) 7_556 7_556 ?
O3 K1 Pd1 150.64(10) 7_546 7_556 ?
O1 K1 Pd1 90.35(7) 3_445 7_556 ?
O1 K1 Pd1 37.82(8) 3_455 7_556 ?
O3 K1 Pd1 114.16(8) . 7_546 ?
O2 K1 Pd1 36.390(15) . 7_546 ?
O2 K1 Pd1 96.87(7) 5_656 7_546 ?
O3 K1 Pd1 150.64(10) 7_556 7_546 ?
O3 K1 Pd1 93.87(6) 7_546 7_546 ?
O1 K1 Pd1 37.82(8) 3_445 7_546 ?
O1 K1 Pd1 90.35(7) 3_455 7_546 ?
Pd1 K1 Pd1 72.66(3) 7_556 7_546 ?
O3 K1 Pd1 130.85(7) . 3 ?
O2 K1 Pd1 96.79(8) . 3 ?
O2 K1 Pd1 35.518(15) 5_656 3 ?
O3 K1 Pd1 36.32(9) 7_556 3 ?
O3 K1 Pd1 88.93(8) 7_546 3 ?
O1 K1 Pd1 152.11(10) 3_445 3 ?
O1 K1 Pd1 96.01(6) 3_455 3 ?
Pd1 K1 Pd1 74.08(2) 7_556 3 ?
Pd1 K1 Pd1 114.38(4) 7_546 3 ?
O3 K1 Pd1 130.85(7) . 3_545 ?
O2 K1 Pd1 96.79(8) . 3_545 ?
O2 K1 Pd1 35.519(15) 5_656 3_545 ?
O3 K1 Pd1 88.93(8) 7_556 3_545 ?
O3 K1 Pd1 36.32(9) 7_546 3_545 ?
O1 K1 Pd1 96.01(6) 3_445 3_545 ?
O1 K1 Pd1 152.11(10) 3_455 3_545 ?
Pd1 K1 Pd1 114.38(4) 7_556 3_545 ?
Pd1 K1 Pd1 74.08(2) 7_546 3_545 ?
Pd1 K1 Pd1 70.89(3) 3 3_545 ?
O3 K1 Nd1 98.40(10) . 5_656 ?
O2 K1 Nd1 143.35(10) . 5_656 ?
O2 K1 Nd1 42.52(8) 5_656 5_656 ?
O3 K1 Nd1 42.76(6) 7_556 5_656 ?
O3 K1 Nd1 42.76(6) 7_546 5_656 ?
O1 K1 Nd1 136.84(6) 3_445 5_656 ?
O1 K1 Nd1 136.84(6) 3_455 5_656 ?
Pd1 K1 Nd1 128.80(3) 7_556 5_656 ?
Pd1 K1 Nd1 128.80(3) 7_546 5_656 ?
Pd1 K1 Nd1 54.83(2) 3 5_656 ?
Pd1 K1 Nd1 54.83(2) 3_545 5_656 ?
Pd1 O1 Nd1 171.4(2) 5_656 . ?
Pd1 O1 Nd1 86.85(11) 5_656 7_645 ?
Nd1 O1 Nd1 98.63(12) . 7_645 ?
Pd1 O1 Nd1 86.85(11) 5_656 7_655 ?
Nd1 O1 Nd1 98.63(12) . 7_655 ?
Nd1 O1 Nd1 100.52(14) 7_645 7_655 ?
Pd1 O1 K1 81.48(11) 5_656 3 ?
Nd1 O1 K1 92.14(11) . 3 ?
Nd1 O1 K1 166.10(16) 7_645 3 ?
Nd1 O1 K1 86.42(3) 7_655 3 ?
Pd1 O1 K1 81.48(11) 5_656 3_545 ?
Nd1 O1 K1 92.14(11) . 3_545 ?
Nd1 O1 K1 86.42(3) 7_645 3_545 ?
Nd1 O1 K1 166.10(16) 7_655 3_545 ?
K1 O1 K1 84.42(11) 3 3_545 ?
Pd1 O2 Pd1 169.7(2) 7_556 7_546 ?
Pd1 O2 Nd1 93.25(13) 7_556 5_655 ?
Pd1 O2 Nd1 93.25(13) 7_546 5_655 ?
Pd1 O2 Nd1 93.07(12) 7_556 . ?
Pd1 O2 Nd1 93.07(12) 7_546 . ?
Nd1 O2 Nd1 104.59(16) 5_655 . ?
Pd1 O2 K1 85.86(12) 7_556 . ?
Pd1 O2 K1 85.86(12) 7_546 . ?
Nd1 O2 K1 92.07(14) 5_655 . ?
Nd1 O2 K1 163.34(19) . . ?
Pd1 O2 K1 86.18(13) 7_556 5_656 ?
Pd1 O2 K1 86.18(13) 7_546 5_656 ?
Nd1 O2 K1 171.24(18) 5_655 5_656 ?
Nd1 O2 K1 84.17(13) . 5_656 ?
K1 O2 K1 79.17(12) . 5_656 ?
Pd1 O3 Nd1 91.70(13) 5_556 3_445 ?
Pd1 O3 Nd1 91.70(13) 5_556 3_455 ?
Nd1 O3 Nd1 106.78(16) 3_445 3_455 ?
Pd1 O3 K1 166.6(2) 5_556 . ?
Nd1 O3 K1 96.25(11) 3_445 . ?
Nd1 O3 K1 96.25(11) 3_455 . ?
Pd1 O3 K1 85.29(12) 5_556 7_556 ?
Nd1 O3 K1 169.09(14) 3_445 7_556 ?
Nd1 O3 K1 83.83(3) 3_455 7_556 ?
K1 O3 K1 84.90(11) . 7_556 ?
Pd1 O3 K1 85.29(12) 5_556 7_546 ?
Nd1 O3 K1 83.83(3) 3_445 7_546 ?
Nd1 O3 K1 169.09(14) 3_455 7_546 ?
K1 O3 K1 84.90(11) . 7_546 ?
K1 O3 K1 85.47(12) 7_556 7_546 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O1 2.327(4) . ?
Nd1 O2 2.407(4) 5_655 ?
Nd1 O2 2.444(4) . ?
Nd1 O3 2.457(3) 3 ?
Nd1 O3 2.457(3) 3_545 ?
Nd1 O1 2.565(3) 7_645 ?
Nd1 O1 2.565(3) 7_655 ?
Nd1 Pd1 3.2026(4) 3_544 ?
Nd1 Pd1 3.2026(4) 3_554 ?
Nd1 Pd1 3.2273(4) 7_546 ?
Nd1 Pd1 3.2273(4) 7_556 ?
Nd1 K1 3.5981(13) 5_656 ?
Pd1 O2 1.9803(4) 7_556 ?
Pd1 O2 1.9803(4) 7_546 ?
Pd1 O3 2.021(4) 5_556 ?
Pd1 O1 2.064(4) 5_656 ?
Pd1 Nd1 3.2027(4) 3_456 ?
Pd1 Nd1 3.2027(4) 3_446 ?
Pd1 Nd1 3.2274(4) 7_546 ?
Pd1 Nd1 3.2274(4) 7_556 ?
Pd1 K1 3.3291(11) 7_556 ?
Pd1 K1 3.3291(11) 7_546 ?
Pd1 K1 3.4010(12) 3_445 ?
Pd1 K1 3.4010(12) 3_455 ?
K1 O3 2.661(5) . ?
K1 O2 2.823(4) . ?
K1 O2 2.900(5) 5_656 ?
K1 O3 2.906(3) 7_556 ?
K1 O3 2.906(3) 7_546 ?
K1 O1 2.936(3) 3_445 ?
K1 O1 2.936(3) 3_455 ?
K1 Pd1 3.3292(11) 7_556 ?
K1 Pd1 3.3292(11) 7_546 ?
K1 Pd1 3.4010(12) 3 ?
K1 Pd1 3.4010(12) 3_545 ?
K1 Nd1 3.5981(13) 5_656 ?
O1 Pd1 2.064(4) 5_656 ?
O1 Nd1 2.565(3) 7_645 ?
O1 Nd1 2.565(3) 7_655 ?
O1 K1 2.936(3) 3 ?
O1 K1 2.936(3) 3_545 ?
O2 Pd1 1.9803(4) 7_556 ?
O2 Pd1 1.9803(4) 7_546 ?
O2 Nd1 2.407(4) 5_655 ?
O2 K1 2.900(5) 5_656 ?
O3 Pd1 2.021(4) 5_556 ?
O3 Nd1 2.457(3) 3_445 ?
O3 Nd1 2.457(3) 3_455 ?
O3 K1 2.906(3) 7_556 ?
O3 K1 2.906(3) 7_546 ?
