#------------------------------------------------------------------------------
#$Date: 2021-06-14 11:46:04 +0300 (Mon, 14 Jun 2021) $
#$Revision: 266430 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563394.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_1563394
loop_
_publ_author_name
'Zaikina, Julia V.'
'Zhou, Haidong'
'Latturner, Susan E.'
_publ_section_title
;
 Structural relationships between new carbide La14Sn(MnC6)3 and fully
 ordered La11(MnC6)3
;
_journal_issue                   12
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2987
_journal_page_last               2994
_journal_paper_doi               10.1016/j.jssc.2010.10.004
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'C18 La14 Mn3 Sn'
_chemical_formula_sum            'C18 La14 Mn3 Sn'
_chemical_formula_weight         2444.43
_chemical_name_common            'lanthanum-tin-manganese carbide'
_chemical_name_systematic        'lanthanum-tin-manganese carbide'
_space_group_IT_number           174
_space_group_name_Hall           'P -6'
_space_group_name_H-M_alt        'P -6'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P -6'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   8.75000(10)
_cell_length_b                   8.75000(10)
_cell_length_c                   10.4640(2)
_cell_measurement_reflns_used    5409
_cell_measurement_temperature    150
_cell_measurement_theta_max      94.311
_cell_measurement_theta_min      5.376
_cell_volume                     693.816(17)
_computing_cell_refinement       'Saint (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'Saint (Bruker, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_measurement_method       'φ and  ω 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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5877
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    23.202
_exptl_absorpt_correction_T_max  0.8011
_exptl_absorpt_correction_T_min  0.2292
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            'metallic light grey'
_exptl_crystal_density_diffrn    5.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1031
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.283
_refine_diff_density_min         -2.137
_refine_diff_density_rms         0.338
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.18(8)
_refine_ls_extinction_coef       0.00122(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_reflns         1432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0290
_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)+(0.0000P)²+10.3398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                1416
_reflns_number_total             1432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-2987.cif
_cod_data_source_block           La14SnMn3C18_150K
_cod_database_code               1563394
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -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
La1 La 0.01156(6) 0.26396(6) 0.25544(5) 0.00709(11) Uani 1 1 d . . .
La2 La 0.33481(9) 0.39475(10) 0.0000 0.00604(14) Uani 1 2 d S . .
La3 La 0.3967(9) 0.4066(6) 0.5000 0.0078(7) Uani 0.83(4) 2 d SP . .
La3A La 0.422(3) 0.391(2) 0.5000 0.0078(7) Uani 0.17(4) 2 d SP . .
La4 La 0.6667 0.3333 0.17054(9) 0.00880(18) Uani 1 3 d S . .
Sn Sn 0.0000 0.0000 0.5000 0.0109(3) Uani 1 6 d S . .
Mn1 Mn 0.3333 0.6667 0.2629(2) 0.0057(4) Uani 1 3 d S . .
Mn2 Mn 0.0000 0.0000 0.0000 0.0073(6) Uani 1 6 d S . .
C1 C 0.3720(12) 0.4787(11) 0.2544(9) 0.0049(15) Uiso 1 1 d . . .
C2 C 0.3806(14) 0.3334(13) 0.2500(10) 0.0125(17) Uiso 1 1 d . . .
C3 C 0.2284(17) 0.0418(17) 0.0000 0.006(2) Uiso 1 2 d S . .
C4 C 0.4026(16) 0.1025(16) 0.0000 0.005(2) Uiso 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
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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
C2 La1 C3 79.0(4) 2 2
C2 La1 C1 177.4(3) 2 .
C3 La1 C1 99.2(3) 2 .
C2 La1 C1 113.0(3) 2 3_565
C3 La1 C1 101.0(3) 2 3_565
C1 La1 C1 69.1(3) . 3_565
C2 La1 C4 74.3(3) 2 2
C3 La1 C4 27.1(3) 2 2
C1 La1 C4 105.0(3) . 2
C1 La1 C4 78.5(3) 3_565 2
C2 La1 C2 151.7(3) 2 .
C3 La1 C2 93.7(3) 2 .
C1 La1 C2 26.1(2) . .
C1 La1 C2 95.2(3) 3_565 .
C4 La1 C2 110.8(3) 2 .
C2 La1 Mn1 147.5(2) 2 .
C3 La1 Mn1 103.9(3) 2 .
C1 La1 Mn1 34.68(16) . .
C1 La1 Mn1 34.49(16) 3_565 .
C4 La1 Mn1 93.6(2) 2 .
C2 La1 Mn1 60.80(19) . .
C2 La1 Sn 83.9(2) 2 .
C3 La1 Sn 128.3(3) 2 .
C1 La1 Sn 95.81(18) . .
C1 La1 Sn 130.51(18) 3_565 .
C4 La1 Sn 149.5(2) 2 .
C2 La1 Sn 79.3(2) . .
Mn1 La1 Sn 115.77(4) . .
C2 La1 La4 48.7(2) 2 1_455
C3 La1 La4 74.8(3) 2 1_455
C1 La1 La4 132.77(17) . 1_455
C1 La1 La4 66.40(16) 3_565 1_455
C4 La1 La4 51.3(2) 2 1_455
C2 La1 La4 155.2(2) . 1_455
Mn1 La1 La4 100.073(17) . 1_455
Sn La1 La4 125.074(18) . 1_455
C2 La1 Mn2 82.2(2) 2 .
C3 La1 Mn2 31.4(3) 2 .
C1 La1 Mn2 95.32(18) . .
C1 La1 Mn2 128.89(18) 3_565 .
C4 La1 Mn2 58.3(2) 2 .
C2 La1 Mn2 77.9(2) . .
Mn1 La1 Mn2 117.40(4) . .
Sn La1 Mn2 98.318(12) . .
La4 La1 Mn2 100.296(18) 1_455 .
C2 La1 La2 129.8(2) 2 .
C3 La1 La2 51.0(3) 2 .
C1 La1 La2 48.36(19) . .
C1 La1 La2 84.22(17) 3_565 .
C4 La1 La2 63.1(2) 2 .
C2 La1 La2 47.7(2) . .
Mn1 La1 La2 63.75(4) . .
Sn La1 La2 121.278(16) . .
La4 La1 La2 111.32(2) 1_455 .
Mn2 La1 La2 53.673(13) . .
C2 La1 La3 137.4(2) 2 .
C3 La1 La3 137.0(3) 2 .
C1 La1 La3 43.30(19) . .
C1 La1 La3 85.6(2) 3_565 .
C4 La1 La3 148.3(2) 2 .
C2 La1 La3 43.3(2) . .
Mn1 La1 La3 59.56(7) . .
Sn La1 La3 56.92(5) . .
La4 La1 La3 142.83(13) 1_455 .
Mn2 La1 La3 116.53(13) . .
La2 La1 La3 88.28(7) . .
C1 La2 C1 153.1(3) . 4
C1 La2 C2 27.7(3) . .
C1 La2 C2 166.3(3) 4 .
C1 La2 C2 166.3(3) . 4
C1 La2 C2 27.7(3) 4 4
C2 La2 C2 145.4(4) . 4
C1 La2 C3 103.29(17) . .
C1 La2 C3 103.29(17) 4 .
C2 La2 C3 77.3(2) . .
C2 La2 C3 77.3(2) 4 .
C1 La2 C4 83.3(2) . 3_665
C1 La2 C4 83.3(2) 4 3_665
C2 La2 C4 83.7(2) . 3_665
C2 La2 C4 83.7(2) 4 3_665
C3 La2 C4 110.7(4) . 3_665
C1 La2 C3 96.6(2) . 2
C1 La2 C3 96.6(2) 4 2
C2 La2 C3 96.3(2) . 2
C2 La2 C3 96.3(2) 4 2
C3 La2 C3 69.4(5) . 2
C4 La2 C3 179.8(4) 3_665 2
C1 La2 C4 100.80(17) . .
C1 La2 C4 100.80(17) 4 .
C2 La2 C4 73.3(2) . .
C2 La2 C4 73.3(2) 4 .
C3 La2 C4 27.3(3) . .
C4 La2 C4 83.4(5) 3_665 .
C3 La2 C4 96.7(4) 2 .
C1 La2 Mn2 102.11(18) . .
C1 La2 Mn2 102.11(18) 4 .
C2 La2 Mn2 86.2(2) . .
C2 La2 Mn2 86.2(2) 4 .
C3 La2 Mn2 34.8(3) . .
C4 La2 Mn2 145.5(3) 3_665 .
C3 La2 Mn2 34.6(2) 2 .
C4 La2 Mn2 62.1(2) . .
C1 La2 La1 140.2(2) . 4
C1 La2 La1 48.6(2) 4 4
C2 La2 La1 143.8(2) . 4
C2 La2 La1 53.4(2) 4 4
C3 La2 La1 82.70(17) . 4
C4 La2 La1 131.89(4) 3_665 4
C3 La2 La1 48.09(4) 2 4
C4 La2 La1 101.09(16) . 4
Mn2 La2 La1 61.026(12) . 4
C1 La2 La1 48.6(2) . .
C1 La2 La1 140.2(2) 4 .
C2 La2 La1 53.4(2) . .
C2 La2 La1 143.8(2) 4 .
C3 La2 La1 82.70(17) . .
C4 La2 La1 131.89(4) 3_665 .
C3 La2 La1 48.09(4) 2 .
C4 La2 La1 101.09(16) . .
Mn2 La2 La1 61.026(12) . .
La1 La2 La1 94.65(2) 4 .
C1 La2 Mn1 29.40(17) . .
C1 La2 Mn1 126.74(17) 4 .
C2 La2 Mn1 57.0(2) . .
C2 La2 Mn1 153.9(2) 4 .
C3 La2 Mn1 128.71(7) . .
C4 La2 Mn1 87.79(17) 3_665 .
C3 La2 Mn1 92.10(16) 2 .
C4 La2 Mn1 130.19(5) . .
Mn2 La2 Mn1 113.693(19) . .
La1 La2 Mn1 120.31(3) 4 .
La1 La2 Mn1 52.690(17) . .
C2 La3 C2 154.9(5) . 4_556
C2 La3 C1 172.4(5) . 4_556
C2 La3 C1 28.3(3) 4_556 4_556
C2 La3 C1 28.3(3) . .
C2 La3 C1 172.4(5) 4_556 .
C1 La3 C1 147.0(5) 4_556 .
C2 La3 Sn 81.4(2) . .
C2 La3 Sn 81.4(2) 4_556 .
C1 La3 Sn 94.8(2) 4_556 .
C1 La3 Sn 94.8(2) . .
C2 La3 Mn1 145.0(4) . 4_556
C2 La3 Mn1 58.1(2) 4_556 4_556
C1 La3 Mn1 29.8(2) 4_556 4_556
C1 La3 Mn1 117.2(3) . 4_556
Sn La3 Mn1 104.72(17) . 4_556
C2 La3 Mn1 58.1(2) . .
C2 La3 Mn1 145.0(4) 4_556 .
C1 La3 Mn1 117.2(3) 4_556 .
C1 La3 Mn1 29.84(19) . .
Sn La3 Mn1 104.72(17) . .
Mn1 La3 Mn1 87.4(2) 4_556 .
C2 La3 La1 49.5(2) . .
C2 La3 La1 129.0(3) 4_556 .
C1 La3 La1 123.0(3) 4_556 .
C1 La3 La1 44.7(2) . .
Sn La3 La1 54.48(7) . .
Mn1 La3 La1 105.8(3) 4_556 .
Mn1 La3 La1 50.81(9) . .
C2 La3 La1 129.0(3) . 4_556
C2 La3 La1 49.5(2) 4_556 4_556
C1 La3 La1 44.7(2) 4_556 4_556
C1 La3 La1 123.0(3) . 4_556
Sn La3 La1 54.48(7) . 4_556
Mn1 La3 La1 50.81(9) 4_556 4_556
Mn1 La3 La1 105.8(3) . 4_556
La1 La3 La1 81.86(15) . 4_556
C2 La3 La1 138.4(3) . 5_666
C2 La3 La1 58.3(2) 4_556 5_666
C1 La3 La1 46.8(2) 4_556 5_666
C1 La3 La1 124.4(2) . 5_666
Sn La3 La1 139.31(2) . 5_666
Mn1 La3 La1 50.64(4) 4_556 5_666
Mn1 La3 La1 105.44(12) . 5_666
La1 La3 La1 150.9(3) . 5_666
La1 La3 La1 91.12(7) 4_556 5_666
C2 La3 La1 58.3(2) . 2_665
C2 La3 La1 138.4(3) 4_556 2_665
C1 La3 La1 124.4(2) 4_556 2_665
C1 La3 La1 46.8(2) . 2_665
Sn La3 La1 139.31(2) . 2_665
Mn1 La3 La1 105.44(12) 4_556 2_665
Mn1 La3 La1 50.64(4) . 2_665
La1 La3 La1 91.12(7) . 2_665
La1 La3 La1 150.9(3) 4_556 2_665
La1 La3 La1 81.37(5) 5_666 2_665
C2 La3 La1 39.1(2) . 3
C2 La3 La1 116.0(3) 4_556 3
C1 La3 La1 141.4(2) 4_556 3
C1 La3 La1 65.65(18) . 3
Sn La3 La1 52.48(5) . 3
Mn1 La3 La1 156.57(18) 4_556 3
Mn1 La3 La1 93.32(4) . 3
La1 La3 La1 58.40(3) . 3
La1 La3 La1 106.94(6) 4_556 3
La1 La3 La1 149.4(3) 5_666 3
La1 La3 La1 92.85(8) 2_665 3
C2 La3A C2 160.4(7) . 4_556
C2 La3A C1 159.9(11) . 4_556
C2 La3A C1 27.8(3) 4_556 4_556
C2 La3A C1 27.8(3) . .
C2 La3A C1 159.9(11) 4_556 .
C1 La3A C1 135.4(11) 4_556 .
C2 La3A Sn 80.8(4) . .
C2 La3A Sn 80.8(4) 4_556 .
C1 La3A Sn 92.0(4) 4_556 .
C1 La3A Sn 92.0(4) . .
C2 La3A La1 140.5(5) . 5_666
C2 La3A La1 58.7(3) 4_556 5_666
C1 La3A La1 47.1(2) 4_556 5_666
C1 La3A La1 122.1(5) . 5_666
Sn La3A La1 138.1(2) . 5_666
C2 La3A La1 58.7(3) . 2_665
C2 La3A La1 140.5(5) 4_556 2_665
C1 La3A La1 122.1(5) 4_556 2_665
C1 La3A La1 47.1(2) . 2_665
Sn La3A La1 138.1(2) . 2_665
La1 La3A La1 81.9(3) 5_666 2_665
C2 La3A La1 41.0(3) . 3
C2 La3A La1 120.6(5) 4_556 3
C1 La3A La1 142.8(5) 4_556 3
C1 La3A La1 67.0(2) . 3
Sn La3A La1 53.36(18) . 3
La1 La3A La1 158.0(8) 5_666 3
La1 La3A La1 95.01(16) 2_665 3
C2 La3A La1 120.6(5) . 6_556
C2 La3A La1 41.0(3) 4_556 6_556
C1 La3A La1 67.1(2) 4_556 6_556
C1 La3A La1 142.8(5) . 6_556
Sn La3A La1 53.36(18) . 6_556
La1 La3A La1 95.01(16) 5_666 6_556
La1 La3A La1 158.0(8) 2_665 6_556
La1 La3A La1 79.7(3) 3 6_556
C2 La3A La1 46.6(4) . .
C2 La3A La1 123.2(7) 4_556 .
C1 La3A La1 114.6(7) 4_556 .
C1 La3A La1 42.0(3) . .
Sn La3A La1 52.5(2) . .
La1 La3A La1 143.1(7) 5_666 .
La1 La3A La1 88.8(2) 2_665 .
La1 La3A La1 57.99(14) 3 .
La1 La3A La1 105.8(3) 6_556 .
C2 La3A La1 123.2(7) . 4_556
C2 La3A La1 46.6(4) 4_556 4_556
C1 La3A La1 42.0(3) 4_556 4_556
C1 La3A La1 114.6(7) . 4_556
Sn La3A La1 52.5(2) . 4_556
La1 La3A La1 88.8(2) 5_666 4_556
La1 La3A La1 143.1(7) 2_665 4_556
La1 La3A La1 105.8(3) 3 4_556
La1 La3A La1 57.99(14) 6_556 4_556
La1 La3A La1 77.6(4) . 4_556
C2 La3A La3A 95.4(5) . 3_665
C2 La3A La3A 95.4(5) 4_556 3_665
C1 La3A La3A 101.4(5) 4_556 3_665
C1 La3A La3A 101.4(5) . 3_665
Sn La3A La3A 143.4(7) . 3_665
La1 La3A La3A 58.7(4) 5_666 3_665
La1 La3A La3A 58.7(4) 2_665 3_665
La1 La3A La3A 101.0(4) 3 3_665
La1 La3A La3A 101.0(4) 6_556 3_665
La1 La3A La3A 141.16(19) . 3_665
La1 La3A La3A 141.16(19) 4_556 3_665
C2 La4 C2 110.5(2) 2_655 3_665
C2 La4 C2 110.5(2) 2_655 .
C2 La4 C2 110.5(2) 3_665 .
C2 La4 C4 84.8(3) 2_655 .
C2 La4 C4 158.3(3) 3_665 .
C2 La4 C4 76.2(3) . .
C2 La4 C4 76.2(3) 2_655 2_655
C2 La4 C4 84.8(3) 3_665 2_655
C2 La4 C4 158.3(3) . 2_655
C4 La4 C4 84.2(2) . 2_655
C2 La4 C4 158.3(3) 2_655 3_665
C2 La4 C4 76.2(3) 3_665 3_665
C2 La4 C4 84.8(3) . 3_665
C4 La4 C4 84.2(2) . 3_665
C4 La4 C4 84.2(2) 2_655 3_665
C2 La4 La1 48.9(2) 2_655 1_655
C2 La4 La1 65.8(2) 3_665 1_655
C2 La4 La1 145.7(2) . 1_655
C4 La4 La1 120.6(2) . 1_655
C4 La4 La1 54.15(16) 2_655 1_655
C4 La4 La1 124.2(2) 3_665 1_655
C2 La4 La1 65.8(2) 2_655 3
C2 La4 La1 145.7(2) 3_665 3
C2 La4 La1 48.9(2) . 3
C4 La4 La1 54.15(16) . 3
C4 La4 La1 124.2(2) 2_655 3
C4 La4 La1 120.6(2) 3_665 3
La1 La4 La1 113.711(14) 1_655 3
C2 La4 La1 145.7(2) 2_655 2_665
C2 La4 La1 48.9(2) 3_665 2_665
C2 La4 La1 65.8(2) . 2_665
C4 La4 La1 124.2(2) . 2_665
C4 La4 La1 120.6(2) 2_655 2_665
C4 La4 La1 54.15(16) 3_665 2_665
La1 La4 La1 113.711(14) 1_655 2_665
La1 La4 La1 113.711(14) 3 2_665
C2 La4 La4 108.4(2) 2_655 4
C2 La4 La4 108.4(2) 3_665 4
C2 La4 La4 108.4(2) . 4
C4 La4 La4 50.69(16) . 4
C4 La4 La4 50.69(16) 2_655 4
C4 La4 La4 50.69(16) 3_665 4
La1 La4 La4 104.799(17) 1_655 4
La1 La4 La4 104.799(17) 3 4
La1 La4 La4 104.799(17) 2_665 4
C2 La4 La2 48.2(2) 2_655 2_655
C2 La4 La2 131.9(2) 3_665 2_655
C2 La4 La2 117.4(2) . 2_655
C4 La4 La2 48.4(2) . 2_655
C4 La4 La2 51.0(2) 2_655 2_655
C4 La4 La2 111.58(16) 3_665 2_655
La1 La4 La2 72.155(14) 1_655 2_655
La1 La4 La2 73.150(14) 3 2_655
La1 La4 La2 165.69(3) 2_665 2_655
La4 La4 La2 60.901(14) 4 2_655
C2 La4 La2 117.4(2) 2_655 3_665
C2 La4 La2 48.2(2) 3_665 3_665
C2 La4 La2 131.9(2) . 3_665
C4 La4 La2 111.58(16) . 3_665
C4 La4 La2 48.4(2) 2_655 3_665
C4 La4 La2 51.0(2) 3_665 3_665
La1 La4 La2 73.150(14) 1_655 3_665
La1 La4 La2 165.69(3) 3 3_665
La1 La4 La2 72.155(14) 2_665 3_665
La4 La4 La2 60.901(14) 4 3_665
La2 La4 La2 98.352(18) 2_655 3_665
La1 Sn La1 141.336(7) 2 6_556
La1 Sn La1 141.336(7) 2 4_556
La1 Sn La1 69.972(13) 6_556 4_556
La1 Sn La1 69.972(13) 2 3
La1 Sn La1 97.083(17) 6_556 3
La1 Sn La1 141.336(7) 4_556 3
La1 Sn La1 97.083(17) 2 5_556
La1 Sn La1 69.972(13) 6_556 5_556
La1 Sn La1 69.972(13) 4_556 5_556
La1 Sn La1 141.336(7) 3 5_556
La1 Sn La1 69.972(13) 2 .
La1 Sn La1 141.336(7) 6_556 .
La1 Sn La1 97.083(17) 4_556 .
La1 Sn La1 69.972(13) 3 .
La1 Sn La1 141.336(7) 5_556 .
La1 Sn La3 131.367(13) 2 .
La1 Sn La3 72.78(11) 6_556 .
La1 Sn La3 68.60(10) 4_556 .
La1 Sn La3 72.78(11) 3 .
La1 Sn La3 131.367(13) 5_556 .
La1 Sn La3 68.60(10) . .
La1 Sn La3 68.60(10) 2 2
La1 Sn La3 131.367(12) 6_556 2
La1 Sn La3 72.78(11) 4_556 2
La1 Sn La3 131.367(12) 3 2
La1 Sn La3 68.60(10) 5_556 2
La1 Sn La3 72.78(11) . 2
La3 Sn La3 120.0 . 2
La1 Sn La3 72.78(11) 2 3
La1 Sn La3 68.60(10) 6_556 3
La1 Sn La3 131.367(13) 4_556 3
La1 Sn La3 68.60(10) 3 3
La1 Sn La3 72.78(11) 5_556 3
La1 Sn La3 131.367(13) . 3
La3 Sn La3 120.000(1) . 3
La3 Sn La3 120.000(2) 2 3
La1 Sn La3A 131.440(15) 2 .
La1 Sn La3A 69.7(3) 6_556 .
La1 Sn La3A 71.6(3) 4_556 .
La1 Sn La3A 69.7(3) 3 .
La1 Sn La3A 131.440(15) 5_556 .
La1 Sn La3A 71.6(3) . .
La3 Sn La3A 5.0(3) . .
La3 Sn La3A 125.0(3) 2 .
La3 Sn La3A 115.0(3) 3 .
La1 Sn La3A 69.7(3) 2 3
La1 Sn La3A 71.6(3) 6_556 3
La1 Sn La3A 131.440(14) 4_556 3
La1 Sn La3A 71.6(3) 3 3
La1 Sn La3A 69.7(3) 5_556 3
La1 Sn La3A 131.440(13) . 3
La3 Sn La3A 125.0(3) . 3
La3 Sn La3A 115.0(3) 2 3
La3 Sn La3A 5.0(3) 3 3
La3A Sn La3A 120.000(1) . 3
La1 Sn La3A 71.6(3) 2 2
La1 Sn La3A 131.440(14) 6_556 2
La1 Sn La3A 69.7(3) 4_556 2
La1 Sn La3A 131.440(14) 3 2
La1 Sn La3A 71.6(3) 5_556 2
La1 Sn La3A 69.7(3) . 2
La3 Sn La3A 115.0(3) . 2
La3 Sn La3A 5.0(3) 2 2
La3 Sn La3A 125.0(3) 3 2
La3A Sn La3A 120.000(3) . 2
La3A Sn La3A 120.000(4) 3 2
C1 Mn1 C1 119.77(5) 3_565 2_665
C1 Mn1 C1 119.77(5) 3_565 .
C1 Mn1 C1 119.77(5) 2_665 .
C1 Mn1 La1 58.2(3) 3_565 3_565
C1 Mn1 La1 61.8(3) 2_665 3_565
C1 Mn1 La1 175.5(3) . 3_565
C1 Mn1 La1 61.8(3) 3_565 .
C1 Mn1 La1 175.5(3) 2_665 .
C1 Mn1 La1 58.2(3) . .
La1 Mn1 La1 119.942(4) 3_565 .
C1 Mn1 La1 175.5(3) 3_565 2_665
C1 Mn1 La1 58.2(3) 2_665 2_665
C1 Mn1 La1 61.8(3) . 2_665
La1 Mn1 La1 119.942(4) 3_565 2_665
La1 Mn1 La1 119.942(4) . 2_665
C1 Mn1 La3 112.2(3) 3_565 2_665
C1 Mn1 La3 46.5(3) 2_665 2_665
C1 Mn1 La3 114.2(3) . 2_665
La1 Mn1 La3 70.03(11) 3_565 2_665
La1 Mn1 La3 137.70(13) . 2_665
La1 Mn1 La3 69.63(5) 2_665 2_665
C1 Mn1 La3 46.5(3) 3_565 3_565
C1 Mn1 La3 114.2(3) 2_665 3_565
C1 Mn1 La3 112.2(3) . 3_565
La1 Mn1 La3 69.63(5) 3_565 3_565
La1 Mn1 La3 70.03(12) . 3_565
La1 Mn1 La3 137.70(13) 2_665 3_565
La3 Mn1 La3 77.55(16) 2_665 3_565
C1 Mn1 La3 114.2(3) 3_565 .
C1 Mn1 La3 112.2(3) 2_665 .
C1 Mn1 La3 46.5(3) . .
La1 Mn1 La3 137.70(13) 3_565 .
La1 Mn1 La3 69.63(5) . .
La1 Mn1 La3 70.03(12) 2_665 .
La3 Mn1 La3 77.55(16) 2_665 .
La3 Mn1 La3 77.55(16) 3_565 .
C1 Mn1 La2 46.9(3) 3_565 3_565
C1 Mn1 La2 101.5(3) 2_665 3_565
C1 Mn1 La2 112.0(3) . 3_565
La1 Mn1 La2 63.56(3) 3_565 3_565
La1 Mn1 La2 76.41(3) . 3_565
La1 Mn1 La2 128.71(7) 2_665 3_565
La3 Mn1 La2 132.91(12) 2_665 3_565
La3 Mn1 La2 93.19(10) 3_565 3_565
La3 Mn1 La2 145.97(4) . 3_565
C1 Mn1 La2 112.0(3) 3_565 2_665
C1 Mn1 La2 46.9(3) 2_665 2_665
C1 Mn1 La2 101.5(3) . 2_665
La1 Mn1 La2 76.41(3) 3_565 2_665
La1 Mn1 La2 128.71(7) . 2_665
La1 Mn1 La2 63.56(3) 2_665 2_665
La3 Mn1 La2 93.19(10) 2_665 2_665
La3 Mn1 La2 145.97(4) 3_565 2_665
La3 Mn1 La2 132.91(12) . 2_665
La2 Mn1 La2 69.14(4) 3_565 2_665
C1 Mn1 La2 101.5(3) 3_565 .
C1 Mn1 La2 112.0(3) 2_665 .
C1 Mn1 La2 46.9(3) . .
La1 Mn1 La2 128.71(7) 3_565 .
La1 Mn1 La2 63.56(3) . .
La1 Mn1 La2 76.41(3) 2_665 .
La3 Mn1 La2 145.97(4) 2_665 .
La3 Mn1 La2 132.91(12) 3_565 .
La3 Mn1 La2 93.19(10) . .
La2 Mn1 La2 69.14(4) 3_565 .
La2 Mn1 La2 69.14(4) 2_665 .
C3 Mn2 C3 120.0 3 .
C3 Mn2 C3 120.0 3 2
C3 Mn2 C3 120.0 . 2
C3 Mn2 La2 178.2(4) 3 .
C3 Mn2 La2 58.2(4) . .
C3 Mn2 La2 61.8(4) 2 .
C3 Mn2 La2 61.8(4) 3 2
C3 Mn2 La2 178.2(4) . 2
C3 Mn2 La2 58.2(4) 2 2
La2 Mn2 La2 120.0 . 2
C3 Mn2 La2 58.2(4) 3 3
C3 Mn2 La2 61.8(4) . 3
C3 Mn2 La2 178.2(4) 2 3
La2 Mn2 La2 120.0 . 3
La2 Mn2 La2 120.0 2 3
C3 Mn2 La1 50.85(7) 3 5
C3 Mn2 La1 115.7(2) . 5
C3 Mn2 La1 101.4(2) 2 5
La2 Mn2 La1 129.444(8) . 5
La2 Mn2 La1 65.301(10) 2 5
La2 Mn2 La1 77.439(11) 3 5
C3 Mn2 La1 115.7(2) 3 .
C3 Mn2 La1 101.4(2) . .
C3 Mn2 La1 50.85(7) 2 .
La2 Mn2 La1 65.301(10) . .
La2 Mn2 La1 77.439(11) 2 .
La2 Mn2 La1 129.444(8) 3 .
La1 Mn2 La1 142.325(6) 5 .
C3 Mn2 La1 101.4(2) 3 3
C3 Mn2 La1 50.85(7) . 3
C3 Mn2 La1 115.7(2) 2 3
La2 Mn2 La1 77.439(11) . 3
La2 Mn2 La1 129.444(8) 2 3
La2 Mn2 La1 65.301(10) 3 3
La1 Mn2 La1 142.325(6) 5 3
La1 Mn2 La1 68.009(13) . 3
C3 Mn2 La1 101.4(2) 3 6
C3 Mn2 La1 50.85(7) . 6
C3 Mn2 La1 115.7(2) 2 6
La2 Mn2 La1 77.439(11) . 6
La2 Mn2 La1 129.444(8) 2 6
La2 Mn2 La1 65.301(10) 3 6
La1 Mn2 La1 68.009(13) 5 6
La1 Mn2 La1 142.325(6) . 6
La1 Mn2 La1 99.552(16) 3 6
C3 Mn2 La1 115.7(2) 3 4
C3 Mn2 La1 101.4(2) . 4
C3 Mn2 La1 50.85(7) 2 4
La2 Mn2 La1 65.301(10) . 4
La2 Mn2 La1 77.439(11) 2 4
La2 Mn2 La1 129.444(8) 3 4
La1 Mn2 La1 68.009(13) 5 4
La1 Mn2 La1 99.552(16) . 4
La1 Mn2 La1 142.325(6) 3 4
La1 Mn2 La1 68.009(13) 6 4
C3 Mn2 La1 50.85(7) 3 2
C3 Mn2 La1 115.7(2) . 2
C3 Mn2 La1 101.4(2) 2 2
La2 Mn2 La1 129.444(8) . 2
La2 Mn2 La1 65.301(10) 2 2
La2 Mn2 La1 77.439(11) 3 2
La1 Mn2 La1 99.552(16) 5 2
La1 Mn2 La1 68.009(13) . 2
La1 Mn2 La1 68.009(13) 3 2
La1 Mn2 La1 142.325(6) 6 2
La1 Mn2 La1 142.325(6) 4 2
C2 C1 Mn1 173.7(8) . .
C2 C1 La3 75.8(6) . .
Mn1 C1 La3 103.7(4) . .
C2 C1 La2 76.3(6) . .
Mn1 C1 La2 103.7(4) . .
La3 C1 La2 151.9(4) . .
C2 C1 La1 86.6(6) . .
Mn1 C1 La1 87.1(3) . .
La3 C1 La1 92.0(3) . .
La2 C1 La1 83.0(3) . .
C2 C1 La3A 70.8(7) . .
Mn1 C1 La3A 109.1(6) . .
La3 C1 La3A 6.2(3) . .
La2 C1 La3A 147.1(6) . .
La1 C1 La3A 95.3(4) . .
C2 C1 La1 102.5(7) . 2_665
Mn1 C1 La1 83.8(3) . 2_665
La3 C1 La1 90.1(3) . 2_665
La2 C1 La1 99.1(3) . 2_665
La1 C1 La1 170.9(3) . 2_665
La3A C1 La1 87.7(4) . 2_665
C1 C2 La4 121.7(8) . .
C1 C2 La1 155.3(8) . 3
La4 C2 La1 82.4(3) . 3
C1 C2 La3A 81.3(8) . .
La4 C2 La3A 105.8(6) . .
La1 C2 La3A 97.8(5) 3 .
C1 C2 La3 75.9(6) . .
La4 C2 La3 111.8(4) . .
La1 C2 La3 101.2(4) 3 .
La3A C2 La3 6.7(4) . .
C1 C2 La2 76.0(6) . .
La4 C2 La2 86.0(3) . .
La1 C2 La2 102.9(3) 3 .
La3A C2 La2 157.4(7) . .
La3 C2 La2 151.7(5) . .
C1 C2 La1 67.3(6) . .
La4 C2 La1 160.0(4) . .
La1 C2 La1 88.2(3) 3 .
La3A C2 La1 92.9(6) . .
La3 C2 La1 87.3(4) . .
La2 C2 La1 78.9(3) . .
C4 C3 Mn2 169.8(11) . .
C4 C3 La1 84.2(3) . 6
Mn2 C3 La1 97.7(3) . 6
C4 C3 La1 84.2(3) . 3
Mn2 C3 La1 97.7(3) . 3
La1 C3 La1 154.7(5) 6 3
C4 C3 La2 82.8(8) . .
Mn2 C3 La2 87.0(4) . .
La1 C3 La2 100.4(3) 6 .
La1 C3 La2 100.4(3) 3 .
C4 C3 La2 106.6(8) . 3
Mn2 C3 La2 83.6(5) . 3
La1 C3 La2 81.0(3) 6 3
La1 C3 La2 81.0(3) 3 3
La2 C3 La2 170.6(5) . 3
C3 C4 La2 133.5(9) . 2_655
C3 C4 La4 130.3(5) . .
La2 C4 La4 82.1(3) 2_655 .
C3 C4 La4 130.3(5) . 4
La2 C4 La4 82.1(3) 2_655 4
La4 C4 La4 78.6(3) . 4
C3 C4 La2 69.9(8) . .
La2 C4 La2 156.6(5) 2_655 .
La4 C4 La2 79.9(3) . .
La4 C4 La2 79.9(3) 4 .
C3 C4 La1 68.7(3) . 6
La2 C4 La1 96.8(3) 2_655 6
La4 C4 La1 153.0(4) . 6
La4 C4 La1 74.53(7) 4 6
La2 C4 La1 92.6(3) . 6
C3 C4 La1 68.7(3) . 3
La2 C4 La1 96.8(3) 2_655 3
La4 C4 La1 74.53(7) . 3
La4 C4 La1 153.0(4) 4 3
La2 C4 La1 92.6(3) . 3
La1 C4 La1 132.1(4) 6 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 C2 2.643(10) 2
La1 C3 2.739(3) 2
La1 C1 2.748(9) .
La1 C1 2.862(9) 3_565
La1 C4 2.925(5) 2
La1 C2 2.973(11) .
La1 Mn1 3.2294(5) .
La1 Sn 3.4146(5) .
La1 La4 3.4781(5) 1_455
La1 Mn2 3.5008(5) .
La1 La2 3.6356(7) .
La1 La3 3.906(6) .
La2 C1 2.737(9) .
La2 C1 2.737(9) 4
La2 C2 2.740(10) .
La2 C2 2.740(10) 4
La2 C3 2.744(13) .
La2 C4 2.773(12) 3_665
La2 C3 2.859(13) 2
La2 C4 2.899(12) .
La2 Mn2 3.2240(7) .
La2 La1 3.6356(7) 4
La2 Mn1 3.6414(19) .
La3 C2 2.680(10) .
La3 C2 2.680(10) 4_556
La3 C1 2.681(9) 4_556
La3 C1 2.681(9) .
La3 Sn 3.515(3) .
La3 Mn1 3.592(7) 4_556
La3 Mn1 3.592(7) .
La3 La1 3.906(6) 4_556
La3 La1 3.926(2) 5_666
La3 La1 3.926(2) 2_665
La3 La1 4.112(5) 3
La3A C2 2.654(10) .
La3A C2 2.654(10) 4_556
La3A C1 2.778(13) 4_556
La3A C1 2.778(13) .
La3A Sn 3.565(14) .
La3A La1 3.906(10) 5_666
La3A La1 3.906(10) 2_665
La3A La1 3.992(13) 3
La3A La1 3.992(13) 6_556
La3A La1 4.085(17) 4_556
La3A La3A 4.22(5) 3_665
La4 C2 2.638(10) 2_655
La4 C2 2.638(10) 3_665
La4 C2 2.638(10) .
La4 C4 2.817(10) .
La4 C4 2.817(10) 2_655
La4 C4 2.817(10) 3_665
La4 La1 3.4781(5) 1_655
La4 La1 3.4781(6) 3
La4 La1 3.4781(5) 2_665
La4 La4 3.5691(19) 4
La4 La2 3.6695(8) 2_655
La4 La2 3.6695(8) 3_665
Sn La1 3.4146(5) 2
Sn La1 3.4146(5) 6_556
Sn La1 3.4146(5) 4_556
Sn La1 3.4146(5) 3
Sn La1 3.4146(5) 5_556
Sn La3 3.515(3) 2
Sn La3 3.515(3) 3
Sn La3A 3.565(14) 3
Sn La3A 3.565(14) 2
Mn1 C1 1.840(8) 3_565
Mn1 C1 1.840(8) 2_665
Mn1 C1 1.840(8) .
Mn1 La1 3.2294(5) 3_565
Mn1 La1 3.2294(5) 2_665
Mn1 La3 3.592(7) 2_665
Mn1 La3 3.592(7) 3_565
Mn1 La2 3.6414(19) 3_565
Mn1 La2 3.6414(19) 2_665
Mn2 C3 1.843(12) 3
Mn2 C3 1.843(12) .
Mn2 C3 1.843(12) 2
Mn2 La2 3.2240(7) 2
Mn2 La2 3.2240(7) 3
Mn2 La1 3.5008(5) 5
Mn2 La1 3.5008(5) 3
Mn2 La1 3.5008(5) 6
Mn2 La1 3.5008(5) 4
Mn2 La1 3.5008(5) 2
C1 C2 1.311(12) .
C1 La1 2.862(9) 2_665
C2 La1 2.643(10) 3
C3 C4 1.340(17) .
C3 La1 2.739(3) 6
C3 La1 2.739(3) 3
C3 La2 2.859(13) 3
C4 La2 2.773(12) 2_655
C4 La4 2.817(10) 4
C4 La1 2.925(5) 6
C4 La1 2.925(5) 3
