#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/73/2107300.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107300
loop_
_publ_author_name
'McMillen, Colin D.'
'Comer, Sara'
'Fulle, Kyle'
'Sanjeewa, Liurukara D.'
'Kolis, Joseph W.'
_publ_section_title
;
 Crystal chemistry of hydrothermally grown ternary alkali rare earth
 fluorides
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              768
_journal_page_last               776
_journal_paper_doi               10.1107/S2052520615017916
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'F10 K Lu3'
_chemical_formula_weight         754.01
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            4
_cell_length_a                   8.0420(11)
_cell_length_b                   8.0420(11)
_cell_length_c                   13.154(3)
_cell_measurement_reflns_used    3712
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.9062
_cell_measurement_theta_min      2.9231
_cell_volume                     736.7(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'DIAMOND (Bradenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC8S'
_diffrn_measurement_method       '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  0.0857
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5397
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         2.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    40.592
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB,RIGAKU/MSC,The Woodlands,TX,USA,1999.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    6.798
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.736
_refine_diff_density_min         -1.917
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(6)
_refine_ls_extinction_coef       0.0025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         547
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.166
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0285
_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/[σ²(Fo²)+(0.0418P)²+5.7237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                542
_reflns_number_total             547
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bp5082sup1.cif
_cod_data_source_block           KLu3F10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        736.8(2)
_cod_original_sg_symbol_H-M      P6(3)mc
_cod_database_code               2107300
_cod_database_fobs_code          2107300
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
K K1 0.6667 0.3333 0.0482(16) 0.0097(18) Uani d S 1 6
K K2 1.0000 0.0000 0.3016(18) 0.0132(15) Uani d S 1 6
Lu Lu1 0.98918(12) 0.49459(6) 0.30267(5) 0.0067(3) Uani d S 1 2
Lu Lu2 0.65254(9) 0.82627(5) 0.04309(7) 0.0059(3) Uani d S 1 2
F F1 0.6667 0.3333 0.2564(15) 0.011(3) Uani d SU 1 6
F F2 0.3333 0.6667 0.0886(13) 0.002(3) Uani d SU 1 6
F F3 0.9664(15) 0.4832(7) 0.4769(10) 0.007(3) Uani d S 1 2
F F4 0.6323(15) 0.8161(8) -0.1329(10) 0.012(3) Uani d SU 1 2
F F5 0.6626(11) 0.9970(11) 0.1693(16) 0.0178(14) Uani d U 1 1
F F6 1.2229(8) 0.7771(8) 0.3416(8) 0.014(2) Uani d S 1 2
F F7 0.8881(9) 1.1119(9) 0.0106(8) 0.016(2) Uani d S 1 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
Lu Lu -0.4720 5.8584 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
F3 K1 F3 6_544 4_764 108.8(5)
F3 K1 F3 6_544 5_564 108.8(5)
F3 K1 F3 4_764 5_564 108.8(5)
F3 K1 F1 6_544 . 110.1(5)
F3 K1 F1 4_764 . 110.1(5)
F3 K1 F1 5_564 . 110.1(5)
F3 K1 F6 6_544 4_764 57.9(4)
F3 K1 F6 4_764 4_764 57.9(4)
F3 K1 F6 5_564 4_764 99.4(8)
F1 K1 F6 . 4_764 150.5(3)
F3 K1 F6 6_544 6_544 57.9(4)
F3 K1 F6 4_764 6_544 99.4(8)
F3 K1 F6 5_564 6_544 57.9(4)
F1 K1 F6 . 6_544 150.5(3)
F6 K1 F6 4_764 6_544 50.5(5)
F3 K1 F6 6_544 5_564 99.4(8)
F3 K1 F6 4_764 5_564 57.9(4)
F3 K1 F6 5_564 5_564 57.9(4)
F1 K1 F6 . 5_564 150.5(3)
F6 K1 F6 4_764 5_564 50.5(5)
F6 K1 F6 6_544 5_564 50.5(5)
F3 K1 F7 6_544 1_545 58.81(15)
F3 K1 F7 4_764 1_545 58.81(15)
F3 K1 F7 5_564 1_545 150.8(10)
F1 K1 F7 . 1_545 99.1(5)
F6 K1 F7 4_764 1_545 51.4(3)
F6 K1 F7 6_544 1_545 96.1(6)
F6 K1 F7 5_564 1_545 96.1(6)
F3 K1 F7 6_544 3_565 58.81(15)
F3 K1 F7 4_764 3_565 150.8(10)
F3 K1 F7 5_564 3_565 58.81(15)
F1 K1 F7 . 3_565 99.1(5)
F6 K1 F7 4_764 3_565 96.1(6)
F6 K1 F7 6_544 3_565 51.4(3)
F6 K1 F7 5_564 3_565 96.1(6)
F7 K1 F7 1_545 3_565 117.6(3)
F3 K1 F7 6_544 2_765 150.8(10)
F3 K1 F7 4_764 2_765 58.81(15)
F3 K1 F7 5_564 2_765 58.81(15)
F1 K1 F7 . 2_765 99.1(5)
F6 K1 F7 4_764 2_765 96.1(6)
F6 K1 F7 6_544 2_765 96.1(6)
F6 K1 F7 5_564 2_765 51.4(3)
F7 K1 F7 1_545 2_765 117.6(3)
F7 K1 F7 3_565 2_765 117.6(3)
F3 K1 F5 6_544 7_765 100.6(2)
F3 K1 F5 4_764 7_765 58.1(4)
F3 K1 F5 5_564 7_765 150.5(4)
F1 K1 F5 . 7_765 59.3(5)
F6 K1 F5 4_764 7_765 94.5(4)
F6 K1 F5 6_544 7_765 144.4(6)
F6 K1 F5 5_564 7_765 116.1(4)
F7 K1 F5 1_545 7_765 49.4(3)
F7 K1 F5 3_565 7_765 145.1(6)
F7 K1 F5 2_765 7_765 94.1(2)
F3 K1 F5 6_544 2_765 150.5(4)
F3 K1 F5 4_764 2_765 58.1(4)
F3 K1 F5 5_564 2_765 100.6(2)
F1 K1 F5 . 2_765 59.3(5)
F6 K1 F5 4_764 2_765 116.1(4)
F6 K1 F5 6_544 2_765 144.4(6)
F6 K1 F5 5_564 2_765 94.5(4)
F7 K1 F5 1_545 2_765 94.1(2)
F7 K1 F5 3_565 2_765 145.1(6)
F7 K1 F5 2_765 2_765 49.4(3)
F5 K1 F5 7_765 2_765 50.0(4)
F4 K2 F4 4_765 6_645 110.3(6)
F4 K2 F4 4_765 5 110.3(6)
F4 K2 F4 6_645 5 110.3(6)
F4 K2 F6 4_765 2_755 58.64(15)
F4 K2 F6 6_645 2_755 151.8(11)
F4 K2 F6 5 2_755 58.64(15)
F4 K2 F6 4_765 3_665 151.8(11)
F4 K2 F6 6_645 3_665 58.64(15)
F4 K2 F6 5 3_665 58.64(15)
F6 K2 F6 2_755 3_665 117.3(3)
F4 K2 F6 4_765 1_545 58.64(15)
F4 K2 F6 6_645 1_545 58.64(15)
F4 K2 F6 5 1_545 151.8(11)
F6 K2 F6 2_755 1_545 117.3(3)
F6 K2 F6 3_665 1_545 117.3(3)
F4 K2 F7 4_765 5 59.3(4)
F4 K2 F7 6_645 5 101.0(8)
F4 K2 F7 5 5 59.3(4)
F6 K2 F7 2_755 5 50.8(4)
F6 K2 F7 3_665 5 95.6(6)
F6 K2 F7 1_545 5 95.6(6)
F4 K2 F7 4_765 4_765 59.3(4)
F4 K2 F7 6_645 4_765 59.3(4)
F4 K2 F7 5 4_765 101.0(8)
F6 K2 F7 2_755 4_765 95.6(6)
F6 K2 F7 3_665 4_765 95.6(6)
F6 K2 F7 1_545 4_765 50.8(4)
F7 K2 F7 5 4_765 50.6(5)
F4 K2 F7 4_765 6_645 101.0(8)
F4 K2 F7 6_645 6_645 59.3(4)
F4 K2 F7 5 6_645 59.3(4)
F6 K2 F7 2_755 6_645 95.6(6)
F6 K2 F7 3_665 6_645 50.8(4)
F6 K2 F7 1_545 6_645 95.6(6)
F7 K2 F7 5 6_645 50.6(5)
F7 K2 F7 4_765 6_645 50.6(5)
F4 K2 F5 4_765 9 150.0(5)
F4 K2 F5 6_645 9 59.0(4)
F4 K2 F5 5 9 99.6(3)
F6 K2 F5 2_755 9 143.6(6)
F6 K2 F5 3_665 9 50.9(3)
F6 K2 F5 1_545 9 95.5(3)
F7 K2 F5 5 9 146.0(6)
F7 K2 F5 4_765 9 118.3(4)
F7 K2 F5 6_645 9 96.3(4)
F4 K2 F5 4_765 1_545 150.0(5)
F4 K2 F5 6_645 1_545 99.6(3)
F4 K2 F5 5 1_545 59.0(4)
F6 K2 F5 2_755 1_545 95.5(3)
F6 K2 F5 3_665 1_545 50.9(3)
F6 K2 F5 1_545 1_545 143.6(6)
F7 K2 F5 5 1_545 118.3(4)
F7 K2 F5 4_765 1_545 146.0(6)
F7 K2 F5 6_645 1_545 96.3(4)
F5 K2 F5 9 1_545 49.0(4)
F4 K2 F5 4_765 2_755 99.6(3)
F4 K2 F5 6_645 2_755 59.0(4)
F4 K2 F5 5 2_755 150.0(5)
F6 K2 F5 2_755 2_755 143.6(6)
F6 K2 F5 3_665 2_755 95.5(3)
F6 K2 F5 1_545 2_755 50.9(3)
F7 K2 F5 5 2_755 146.0(6)
F7 K2 F5 4_765 2_755 96.3(4)
F7 K2 F5 6_645 2_755 118.3(4)
F5 K2 F5 9 2_755 50.4(4)
F5 K2 F5 1_545 2_755 93.4(7)
F6 Lu1 F6 2_755 . 76.0(6)
F6 Lu1 F5 2_755 7_765 77.6(4)
F6 Lu1 F5 . 7_765 121.7(4)
F6 Lu1 F5 2_755 2_765 121.7(4)
F6 Lu1 F5 . 2_765 77.6(4)
F5 Lu1 F5 7_765 2_765 73.8(7)
F6 Lu1 F3 2_755 . 79.4(3)
F6 Lu1 F3 . . 79.4(4)
F5 Lu1 F3 7_765 . 143.1(4)
F5 Lu1 F3 2_765 . 143.1(4)
F6 Lu1 F1 2_755 . 141.9(3)
F6 Lu1 F1 . . 141.9(3)
F5 Lu1 F1 7_765 . 80.4(4)
F5 Lu1 F1 2_765 . 80.4(4)
F3 Lu1 F1 . . 101.2(5)
F6 Lu1 F4 2_755 5 80.0(4)
F6 Lu1 F4 . 5 141.2(4)
F5 Lu1 F4 7_765 5 81.3(5)
F5 Lu1 F4 2_765 5 141.1(4)
F3 Lu1 F4 . 5 66.5(3)
F1 Lu1 F4 . 5 66.2(3)
F6 Lu1 F4 2_755 6_655 141.2(4)
F6 Lu1 F4 . 6_655 80.0(4)
F5 Lu1 F4 7_765 6_655 141.1(4)
F5 Lu1 F4 2_765 6_655 81.3(4)
F3 Lu1 F4 . 6_655 66.5(3)
F1 Lu1 F4 . 6_655 66.2(3)
F4 Lu1 F4 5 6_655 101.5(6)
F6 Lu1 Lu2 2_755 5 73.8(3)
F6 Lu1 Lu2 . 5 109.5(3)
F5 Lu1 Lu2 7_765 5 111.5(4)
F5 Lu1 Lu2 2_765 5 164.5(2)
F3 Lu1 Lu2 . 5 33.39(11)
F1 Lu1 Lu2 . 5 86.0(4)
F4 Lu1 Lu2 5 5 33.5(3)
F4 Lu1 Lu2 6_655 5 86.3(3)
F6 Lu1 Lu2 2_755 6_655 109.5(3)
F6 Lu1 Lu2 . 6_655 73.8(3)
F5 Lu1 Lu2 7_765 6_655 164.5(2)
F5 Lu1 Lu2 2_765 6_655 111.5(4)
F3 Lu1 Lu2 . 6_655 33.39(11)
F1 Lu1 Lu2 . 6_655 86.0(4)
F4 Lu1 Lu2 5 6_655 86.3(3)
F4 Lu1 Lu2 6_655 6_655 33.5(3)
Lu2 Lu1 Lu2 5 6_655 59.63(3)
F6 Lu1 Lu1 2_755 3_665 110.1(3)
F6 Lu1 Lu1 . 3_665 163.5(3)
F5 Lu1 Lu1 7_765 3_665 74.8(2)
F5 Lu1 Lu1 2_765 3_665 109.8(3)
F3 Lu1 Lu1 . 3_665 86.6(2)
F1 Lu1 Lu1 . 3_665 33.30(19)
F4 Lu1 Lu1 5 3_665 33.3(2)
F4 Lu1 Lu1 6_655 3_665 86.5(2)
Lu2 Lu1 Lu1 5 3_665 59.846(14)
Lu2 Lu1 Lu1 6_655 3_665 89.705(14)
F6 Lu1 Lu1 2_755 2_655 163.5(3)
F6 Lu1 Lu1 . 2_655 110.1(3)
F5 Lu1 Lu1 7_765 2_655 109.8(3)
F5 Lu1 Lu1 2_765 2_655 74.8(2)
F3 Lu1 Lu1 . 2_655 86.6(2)
F1 Lu1 Lu1 . 2_655 33.30(19)
F4 Lu1 Lu1 5 2_655 86.5(2)
F4 Lu1 Lu1 6_655 2_655 33.3(2)
Lu2 Lu1 Lu1 5 2_655 89.705(14)
Lu2 Lu1 Lu1 6_655 2_655 59.846(14)
Lu1 Lu1 Lu1 3_665 2_655 60.0
F5 Lu2 F5 . 9_565 77.4(8)
F5 Lu2 F7 . 2_765 121.2(4)
F5 Lu2 F7 9_565 2_765 74.9(4)
F5 Lu2 F7 . . 74.9(4)
F5 Lu2 F7 9_565 . 121.2(4)
F7 Lu2 F7 2_765 . 77.1(6)
F5 Lu2 F2 . . 80.2(4)
F5 Lu2 F2 9_565 . 80.2(4)
F7 Lu2 F2 2_765 . 141.5(3)
F7 Lu2 F2 . . 141.5(3)
F5 Lu2 F4 . . 141.3(4)
F5 Lu2 F4 9_565 . 141.3(4)
F7 Lu2 F4 2_765 . 81.3(4)
F7 Lu2 F4 . . 81.3(4)
F2 Lu2 F4 . . 101.6(5)
F5 Lu2 F3 . 6_554 79.8(5)
F5 Lu2 F3 9_565 6_554 142.6(4)
F7 Lu2 F3 2_765 6_554 142.5(4)
F7 Lu2 F3 . 6_554 80.0(4)
F2 Lu2 F3 . 6_554 66.9(3)
F4 Lu2 F3 . 6_554 66.2(3)
F5 Lu2 F3 . 5_564 142.6(4)
F5 Lu2 F3 9_565 5_564 79.8(5)
F7 Lu2 F3 2_765 5_564 80.0(4)
F7 Lu2 F3 . 5_564 142.5(4)
F2 Lu2 F3 . 5_564 66.9(3)
F4 Lu2 F3 . 5_564 66.2(3)
F3 Lu2 F3 6_554 5_564 101.9(6)
F5 Lu2 Lu2 . 3_565 110.0(3)
F5 Lu2 Lu2 9_565 3_565 73.5(2)
F7 Lu2 Lu2 2_765 3_565 110.1(3)
F7 Lu2 Lu2 . 3_565 165.3(3)
F2 Lu2 Lu2 . 3_565 33.26(17)
F4 Lu2 Lu2 . 3_565 87.0(2)
F3 Lu2 Lu2 6_554 3_565 87.1(2)
F3 Lu2 Lu2 5_564 3_565 34.2(2)
F5 Lu2 Lu2 . 2_665 73.5(2)
F5 Lu2 Lu2 9_565 2_665 110.0(3)
F7 Lu2 Lu2 2_765 2_665 165.3(3)
F7 Lu2 Lu2 . 2_665 110.1(3)
F2 Lu2 Lu2 . 2_665 33.26(17)
F4 Lu2 Lu2 . 2_665 87.0(2)
F3 Lu2 Lu2 6_554 2_665 34.2(2)
F3 Lu2 Lu2 5_564 2_665 87.1(2)
Lu2 Lu2 Lu2 3_565 2_665 60.0
F5 Lu2 Lu1 . 6_554 109.4(4)
F5 Lu2 Lu1 9_565 6_554 163.8(3)
F7 Lu2 Lu1 2_765 6_554 111.5(3)
F7 Lu2 Lu1 . 6_554 75.0(3)
F2 Lu2 Lu1 . 6_554 86.5(3)
F4 Lu2 Lu1 . 6_554 33.65(11)
F3 Lu2 Lu1 6_554 6_554 32.9(3)
F3 Lu2 Lu1 5_564 6_554 86.6(3)
Lu2 Lu2 Lu1 3_565 6_554 90.295(15)
Lu2 Lu2 Lu1 2_665 6_554 60.187(13)
F5 Lu2 Lu1 . 5_564 163.8(3)
F5 Lu2 Lu1 9_565 5_564 109.4(4)
F7 Lu2 Lu1 2_765 5_564 75.0(3)
F7 Lu2 Lu1 . 5_564 111.5(3)
F2 Lu2 Lu1 . 5_564 86.5(3)
F4 Lu2 Lu1 . 5_564 33.65(11)
F3 Lu2 Lu1 6_554 5_564 86.6(3)
F3 Lu2 Lu1 5_564 5_564 32.9(3)
Lu2 Lu2 Lu1 3_565 5_564 60.187(13)
Lu2 Lu2 Lu1 2_665 5_564 90.295(14)
Lu1 Lu2 Lu1 6_554 5_564 60.31(3)
Lu1 F1 Lu1 . 3_665 113.4(4)
Lu1 F1 Lu1 . 2_655 113.4(4)
Lu1 F1 Lu1 3_665 2_655 113.4(4)
Lu1 F1 K1 . . 105.2(5)
Lu1 F1 K1 3_665 . 105.2(5)
Lu1 F1 K1 2_655 . 105.2(5)
Lu2 F2 Lu2 2_665 3_565 113.5(3)
Lu2 F2 Lu2 2_665 . 113.5(3)
Lu2 F2 Lu2 3_565 . 113.5(3)
Lu1 F3 Lu2 . 5 113.7(3)
Lu1 F3 Lu2 . 6_655 113.7(3)
Lu2 F3 Lu2 5 6_655 111.6(5)
Lu1 F3 K1 . 4_765 106.2(6)
Lu2 F3 K1 5 4_765 105.4(4)
Lu2 F3 K1 6_655 4_765 105.4(4)
Lu2 F4 Lu1 . 6_554 112.8(4)
Lu2 F4 Lu1 . 5_564 112.8(4)
Lu1 F4 Lu1 6_554 5_564 113.3(5)
Lu2 F4 K2 . 4_764 105.1(6)
Lu1 F4 K2 6_554 4_764 105.9(5)
Lu1 F4 K2 5_564 4_764 105.9(5)
Lu2 F5 Lu1 . 3_675 144.8(4)
Lu2 F5 K1 . 1_565 98.1(8)
Lu1 F5 K1 3_675 1_565 96.9(4)
Lu2 F5 K2 . 1_565 100.8(4)
Lu1 F5 K2 3_675 1_565 94.1(8)
K1 F5 K2 1_565 1_565 128.8(3)
Lu1 F6 Lu1 3_775 . 147.0(6)
Lu1 F6 K1 3_775 4_765 97.4(3)
Lu1 F6 K1 . 4_765 97.4(3)
Lu1 F6 K2 3_775 1_565 96.6(3)
Lu1 F6 K2 . 1_565 96.6(3)
K1 F6 K2 4_765 1_565 129.1(8)
Lu2 F7 Lu2 3_675 . 150.5(6)
Lu2 F7 K1 3_675 1_565 97.3(3)
Lu2 F7 K1 . 1_565 97.3(3)
Lu2 F7 K2 3_675 4_764 95.3(3)
Lu2 F7 K2 . 4_764 95.3(3)
K1 F7 K2 1_565 4_764 128.6(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
K1 F3 6_544 2.722(14)
K1 F3 4_764 2.722(14)
K1 F3 5_564 2.722(14)
K1 F1 . 2.74(3)
K1 F6 4_764 3.12(2)
K1 F6 6_544 3.12(2)
K1 F6 5_564 3.12(2)
K1 F7 1_545 3.124(13)
K1 F7 3_565 3.124(13)
K1 F7 2_765 3.124(13)
K1 F5 7_765 3.125(18)
K1 F5 2_765 3.125(18)
K2 F4 4_765 2.702(14)
K2 F4 6_645 2.702(14)
K2 F4 5 2.702(14)
K2 F6 2_755 3.148(12)
K2 F6 3_665 3.148(12)
K2 F6 1_545 3.148(12)
K2 F7 5 3.16(3)
K2 F7 4_765 3.16(3)
K2 F7 6_645 3.16(3)
K2 F5 9 3.21(2)
K2 F5 1_545 3.21(2)
K2 F5 2_755 3.21(2)
Lu1 F6 2_755 2.165(3)
Lu1 F6 . 2.165(3)
Lu1 F5 7_765 2.197(17)
Lu1 F5 2_765 2.197(17)
Lu1 F3 . 2.298(13)
Lu1 F1 . 2.327(5)
Lu1 F4 5 2.328(6)
Lu1 F4 6_655 2.328(6)
Lu1 Lu2 5 3.8725(12)
Lu1 Lu2 6_655 3.8725(12)
Lu1 Lu1 3_665 3.8905(16)
Lu1 Lu1 2_655 3.8905(16)
Lu2 F5 . 2.130(17)
Lu2 F5 9_565 2.130(17)
Lu2 F7 2_765 2.167(3)
Lu2 F7 . 2.167(3)
Lu2 F2 . 2.302(4)
Lu2 F4 . 2.320(13)
Lu2 F3 6_554 2.327(6)
Lu2 F3 5_564 2.327(6)
Lu2 Lu2 3_565 3.8505(12)
Lu2 Lu2 2_665 3.8505(12)
Lu2 Lu1 6_554 3.8725(12)
Lu2 Lu1 5_564 3.8725(12)
F1 Lu1 3_665 2.327(5)
F1 Lu1 2_655 2.327(5)
F2 Lu2 2_665 2.302(4)
F2 Lu2 3_565 2.302(4)
F3 Lu2 5 2.327(6)
F3 Lu2 6_655 2.327(6)
F3 K1 4_765 2.722(14)
F4 Lu1 6_554 2.328(6)
F4 Lu1 5_564 2.328(6)
F4 K2 4_764 2.702(14)
F5 Lu1 3_675 2.197(17)
F5 K1 1_565 3.125(18)
F5 K2 1_565 3.21(2)
F6 Lu1 3_775 2.165(3)
F6 K1 4_765 3.12(2)
F6 K2 1_565 3.148(12)
F7 Lu2 3_675 2.167(3)
F7 K1 1_565 3.124(13)
F7 K2 4_764 3.16(3)
