#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/52/2235288.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_2235288
loop_
_publ_author_name
'Bindi, Luca'
'Figini Albisetti, Alessandro'
'Giunchi, Giovanni'
'Malpezzi, Luciana'
'Masciocchi, Norberto'
_publ_section_title
;
 Redetermination of Mg₂B₂₅ based on single-crystal X-ray data
;
_journal_coeditor_code           WM2631
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i50
_journal_paper_doi               10.1107/S1600536812023768
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'Mg2 B25'
_chemical_formula_moiety         'Mg2 B25'
_chemical_formula_sum            'B25 Mg2'
_chemical_formula_weight         318.87
_chemical_name_systematic
;
dimagnesium pentaeicosaboride
;
_space_group_IT_number           166
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_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            12
_cell_length_a                   11.0398(5)
_cell_length_b                   11.0398(5)
_cell_length_c                   24.1950(10)
_cell_measurement_reflns_used    562
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.2
_cell_measurement_theta_min      10.6
_cell_volume                     2553.75(19)
_computing_cell_refinement
'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_collection
'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction
'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur 3 CCD'
_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  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            4794
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.233
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(ABSPACK; Oxford Diffraction, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.312
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_matrix_type           full
_refine_ls_number_parameters     122
_refine_ls_number_reflns         799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0214
_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)+(0.0342P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                724
_reflns_number_total             799
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2631.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               2235288
_cod_database_fobs_code          2235288
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'y, x, -z'
'-x+y, -x, z'
'-x, -x+y, -z'
'x-y, -y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'-y, -x, z'
'x-y, x, -z'
'x, x-y, z'
'-x+y, y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'x+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
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
B B1 0.17051(6) 0.16425(6) 0.17121(2) 0.01393(14) Uani d . 1 1
B B2 0.31095(6) 0.29537(6) 0.13087(2) 0.01500(14) Uani d . 1 1
B B3 0.25656(6) 0.21074(6) 0.41962(2) 0.01482(14) Uani d . 1 1
B B4 0.24302(14) 0.2507(2) 0.34557(4) 0.0146(4) Uani d P 0.836(7) 1
B B5 0.05447(4) 0.10893(8) 0.94321(3) 0.01410(18) Uani d S 1 2
B B6 0.08455(4) 0.16910(8) 0.01360(3) 0.01402(18) Uani d S 1 2
B B7 0.10819(4) 0.21638(9) 0.88662(3) 0.01461(18) Uani d S 1 2
B B8 0.17148(4) 0.34295(8) 0.02961(3) 0.01510(18) Uani d S 1 2
B B9 0.13101(4) 0.26201(9) 0.76761(3) 0.01487(17) Uani d S 1 2
B B10 0.10643(4) 0.21286(8) 0.70081(3) 0.01434(18) Uani d S 1 2
B B11 0.05625(4) 0.11249(9) 0.32568(3) 0.01443(17) Uani d S 1 2
B B12 0.08963(4) 0.17926(8) 0.40273(3) 0.01459(18) Uani d S 1 2
B B13 0.05471(9) 0.10941(17) 0.55309(6) 0.0136(5) Uani d SP 0.493(4) 2
B B14 0.0000 0.0000 0.38677(6) 0.0148(3) Uani d S 1 6
B B15 0.0000 0.0000 0.5000 0.0148(4) Uani d S 1 12
Mg MgN 0.12339(3) 0.24679(6) 0.25266(2) 0.01846(19) Uani d SP 0.5000(14) 2
Mg MgD 0.20089(3) 0.40178(6) 0.17677(2) 0.0185(2) Uani d SP 0.5019(14) 2
Mg MgE 0.0000 0.0000 0.23530(4) 0.0190(3) Uani d SP 0.501(2) 6
Mg MgF 0.37439(15) 0.0000 0.0000 0.0182(13) Uani d SP 0.166(4) 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 '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
B7 B1 B1 20_556 23 59.26(2)
B7 B1 B2 20_556 . 63.40(4)
B1 B1 B2 23 . 112.05(3)
B7 B1 B9 20_556 20_556 106.37(4)
B1 B1 B9 23 20_556 63.11(2)
B2 B1 B9 . 20_556 104.36(4)
B7 B1 B1 20_556 24 118.57(3)
B1 B1 B1 23 24 120.0
B2 B1 B1 . 24 117.49(3)
B9 B1 B1 20_556 24 128.25(3)
B7 B1 B2 20_556 11 104.44(4)
B1 B1 B2 23 11 109.25(2)
B2 B1 B2 . 11 55.06(3)
B9 B1 B2 20_556 11 58.03(3)
B1 B1 B2 24 11 125.95(2)
B7 B1 MgN 20_556 . 176.04(4)
B1 B1 MgN 23 . 120.089(18)
B2 B1 MgN . . 114.58(3)
B9 B1 MgN 20_556 . 70.53(3)
B1 B1 MgN 24 . 65.314(16)
B2 B1 MgN 11 . 71.90(3)
B7 B1 MgE 20_556 . 121.06(4)
B1 B1 MgE 23 . 68.814(15)
B2 B1 MgE . . 172.93(4)
B9 B1 MgE 20_556 . 69.50(3)
B1 B1 MgE 24 . 66.147(15)
B2 B1 MgE 11 . 117.87(4)
MgN B1 MgE . . 60.59(2)
B7 B1 MgD 20_556 . 121.42(3)
B1 B1 MgD 23 . 172.571(15)
B2 B1 MgD . . 64.49(3)
B9 B1 MgD 20_556 . 110.71(3)
B1 B1 MgD 24 . 66.785(15)
B2 B1 MgD 11 . 63.32(2)
MgN B1 MgD . . 58.65(2)
MgE B1 MgD . . 113.75(3)
B3 B2 B2 16_554 11 128.25(3)
B3 B2 B1 16_554 . 122.06(4)
B2 B2 B1 11 . 69.56(4)
B3 B2 B7 16_554 20_556 117.24(4)
B2 B2 B7 11 20_556 109.96(3)
B1 B2 B7 . 20_556 56.05(4)
B3 B2 B9 16_554 8_554 117.38(4)
B2 B2 B9 11 8_554 104.67(4)
B1 B2 B9 . 8_554 104.63(4)
B7 B2 B9 20_556 8_554 57.92(4)
B3 B2 B1 16_554 11 126.37(4)
B2 B2 B1 11 11 55.37(3)
B1 B2 B1 . 11 108.97(4)
B7 B2 B1 20_556 11 103.61(4)
B9 B2 B1 8_554 11 58.09(3)
B3 B2 MgD 16_554 . 68.57(3)
B2 B2 MgD 11 . 69.42(3)
B1 B2 MgD . . 72.02(3)
B7 B2 MgD 20_556 . 121.72(4)
B9 B2 MgD 8_554 . 173.85(4)
B1 B2 MgD 11 . 117.63(3)
B3 B2 MgD 16_554 28 69.62(3)
B2 B2 MgD 11 28 66.45(3)
B1 B2 MgD . 28 126.89(3)
B7 B2 MgD 20_556 28 170.76(4)
B9 B2 MgD 8_554 28 113.96(4)
B1 B2 MgD 11 28 67.24(3)
MgD B2 MgD . 28 65.80(3)
B3 B2 MgN 16_554 28 70.80(3)
B2 B2 MgN 11 28 104.50(4)
B1 B2 MgN . 28 167.03(4)
B7 B2 MgN 20_556 28 118.51(4)
B9 B2 MgN 8_554 28 65.03(3)
B1 B2 MgN 11 28 59.39(2)
MgD B2 MgN . 28 117.48(3)
MgD B2 MgN 28 28 56.43(2)
B12 B3 B8 . 8 108.67(5)
B12 B3 B2 . 8 122.77(5)
B8 B3 B2 8 8 120.34(5)
B12 B3 B13 . 20_556 62.46(5)
B8 B3 B13 8 20_556 107.94(5)
B2 B3 B13 8 20_556 120.86(6)
B12 B3 B3 . 23 109.21(3)
B8 B3 B3 8 23 58.99(2)
B2 B3 B3 8 23 120.11(3)
B13 B3 B3 20_556 23 59.64(3)
B12 B3 B4 . . 67.74(5)
B8 B3 B4 8 . 54.79(3)
B2 B3 B4 8 . 119.05(7)
B13 B3 B4 20_556 . 115.90(8)
B3 B3 B4 23 . 106.03(5)
B12 B3 MgD . 8 111.91(4)
B8 B3 MgD 8 8 120.43(3)
B2 B3 MgD 8 8 67.17(3)
B13 B3 MgD 20_556 8 59.60(5)
B3 B3 MgD 23 8 67.438(14)
B4 B3 MgD . 8 173.19(6)
B12 B3 MgF . 25 76.64(5)
B8 B3 MgF 8 25 61.54(3)
B2 B3 MgF 8 25 101.38(3)
B13 B3 MgF 20_556 25 132.10(6)
B3 B3 MgF 23 25 118.66(2)
B4 B3 MgF . 25 17.68(6)
MgD B3 MgF 8 25 168.08(4)
B12 B3 MgD . 31 62.94(3)
B8 B3 MgD 8 31 171.58(4)
B2 B3 MgD 8 31 67.25(3)
B13 B3 MgD 20_556 31 68.29(4)
B3 B3 MgD 23 31 121.747(19)
B4 B3 MgD . 31 119.30(4)
MgD B3 MgD 8 31 64.83(2)
MgF B3 MgD 25 31 114.86(4)
B12 B3 MgN . 31 60.51(3)
B8 B3 MgN 8 31 121.91(3)
B2 B3 MgN 8 31 69.11(3)
B13 B3 MgN 20_556 31 112.51(4)
B3 B3 MgN 23 31 169.708(15)
B4 B3 MgN . 31 70.52(4)
MgD B3 MgN 8 31 115.55(2)
MgF B3 MgN 25 31 60.47(3)
MgD B3 MgN 31 31 55.630(19)
MgF B4 B8 25 8 118.33(13)
MgF B4 B4 25 18 5.94(12)
B8 B4 B4 8 18 124.26(7)
MgF B4 B10 25 20_556 117.38(9)
B8 B4 B10 8 20_556 64.19(5)
B4 B4 B10 18 20_556 119.25(8)
MgF B4 B3 25 . 120.31(8)
B8 B4 B3 8 . 59.50(5)
B4 B4 B3 18 . 121.87(8)
B10 B4 B3 20_556 . 112.45(10)
MgF B4 B11 25 . 128.71(13)
B8 B4 B11 8 . 105.81(11)
B4 B4 B11 18 . 123.93(7)
B10 B4 B11 20_556 . 59.96(5)
B3 B4 B11 . . 103.54(10)
MgF B4 B12 25 . 128.43(11)
B8 B4 B12 8 . 100.79(10)
B4 B4 B12 18 . 123.92(6)
B10 B4 B12 20_556 . 109.08(10)
B3 B4 B12 . . 53.19(5)
B11 B4 B12 . . 60.10(6)
MgF B4 MgN 25 . 76.30(9)
B8 B4 MgN 8 . 128.49(5)
B4 B4 MgN 18 . 73.12(6)
B10 B4 MgN 20_556 . 65.58(3)
B3 B4 MgN . . 157.83(9)
B11 B4 MgN . . 55.46(3)
B12 B4 MgN . . 105.46(4)
MgF B4 MgN 25 31 72.59(9)
B8 B4 MgN 8 31 123.78(5)
B4 B4 MgN 18 31 69.42(6)
B10 B4 MgN 20_556 31 164.11(8)
B3 B4 MgN . 31 67.89(3)
B11 B4 MgN . 31 104.20(4)
B12 B4 MgN . 31 57.55(3)
MgN B4 MgN . 31 107.70(4)
MgF B4 MgF 25 7_455 78.50(14)
B8 B4 MgF 8 7_455 162.81(12)
B4 B4 MgF 18 7_455 72.57(5)
B10 B4 MgF 20_556 7_455 112.77(4)
B3 B4 MgF . 7_455 110.31(4)
B11 B4 MgF . 7_455 61.31(3)
B12 B4 MgF . 7_455 63.43(3)
MgN B4 MgF . 7_455 55.650(18)
MgN B4 MgF 31 7_455 55.090(17)
B7 B5 B6 . 20_556 123.62(4)
B7 B5 B6 . 22_556 123.62(4)
B6 B5 B6 20_556 22_556 105.19(6)
B7 B5 B6 . 1_556 124.46(6)
B6 B5 B6 20_556 1_556 58.71(3)
B6 B5 B6 22_556 1_556 58.71(3)
B7 B5 B5 . 2 121.31(3)
B6 B5 B5 20_556 2 106.42(3)
B6 B5 B5 22_556 2 59.22(3)
B6 B5 B5 1_556 2 106.09(3)
B7 B5 B5 . 4 121.31(3)
B6 B5 B5 20_556 4 59.22(3)
B6 B5 B5 22_556 4 106.42(3)
B6 B5 B5 1_556 4 106.09(3)
B5 B5 B5 2 4 60.0
B8 B6 B6 . 22 122.451(10)
B8 B6 B6 . 20 122.451(10)
B6 B6 B6 22 20 106.67(5)
B8 B6 B5 . 22_556 118.10(5)
B6 B6 B5 22 22_556 61.65(4)
B6 B6 B5 20 22_556 110.24(4)
B8 B6 B5 . 20_556 118.10(5)
B6 B6 B5 22 20_556 110.24(4)
B6 B6 B5 20 20_556 61.65(4)
B5 B6 B5 22_556 20_556 61.56(6)
B8 B6 B5 . 1_554 121.78(6)
B6 B6 B5 22 1_554 59.64(4)
B6 B6 B5 20 1_554 59.64(4)
B5 B6 B5 22_556 1_554 111.27(5)
B5 B6 B5 20_556 1_554 111.27(5)
B8 B6 MgF . 2 50.190(19)
B6 B6 MgF 22 2 72.291(16)
B6 B6 MgF 20 2 148.36(6)
B5 B6 MgF 22_556 2 97.17(3)
B5 B6 MgF 20_556 2 149.54(4)
B5 B6 MgF 1_554 2 96.33(3)
B8 B6 MgF . 22 50.190(19)
B6 B6 MgF 22 22 148.36(6)
B6 B6 MgF 20 22 72.291(16)
B5 B6 MgF 22_556 22 149.54(4)
B5 B6 MgF 20_556 22 97.17(3)
B5 B6 MgF 1_554 22 96.33(3)
MgF B6 MgF 2 22 92.16(3)
B1 B7 B1 22_556 3_556 61.48(5)
B1 B7 B5 22_556 . 120.12(5)
B1 B7 B5 3_556 . 120.12(5)
B1 B7 B9 22_556 31_556 112.88(5)
B1 B7 B9 3_556 31_556 112.88(5)
B5 B7 B9 . 31_556 117.39(5)
B1 B7 B2 22_556 3_556 111.52(4)
B1 B7 B2 3_556 3_556 60.55(3)
B5 B7 B2 . 3_556 118.63(3)
B9 B7 B2 31_556 3_556 63.45(3)
B1 B7 B2 22_556 22_556 60.55(3)
B1 B7 B2 3_556 22_556 111.52(4)
B5 B7 B2 . 22_556 118.63(3)
B9 B7 B2 31_556 22_556 63.45(3)
B2 B7 B2 3_556 22_556 114.24(6)
B4 B8 B4 33_554 16_554 116.74(11)
B4 B8 B6 33_554 . 113.05(7)
B4 B8 B6 16_554 . 113.05(7)
B4 B8 B3 33_554 33_554 65.71(4)
B4 B8 B3 16_554 33_554 117.78(7)
B6 B8 B3 . 33_554 122.01(5)
B4 B8 B3 33_554 16_554 117.78(7)
B4 B8 B3 16_554 16_554 65.71(4)
B6 B8 B3 . 16_554 122.01(5)
B3 B8 B3 33_554 16_554 62.03(4)
B4 B8 B10 33_554 31 62.12(4)
B4 B8 B10 16_554 31 62.12(4)
B6 B8 B10 . 31 111.38(5)
B3 B8 B10 33_554 31 115.72(5)
B3 B8 B10 16_554 31 115.72(5)
B4 B8 MgF 33_554 22 130.76(6)
B4 B8 MgF 16_554 22 19.76(7)
B6 B8 MgF . 22 93.38(4)
B3 B8 MgF 33_554 22 133.21(5)
B3 B8 MgF 16_554 22 73.74(3)
B10 B8 MgF 31 22 69.85(2)
B4 B8 MgF 33_554 2 19.76(7)
B4 B8 MgF 16_554 2 130.76(6)
B6 B8 MgF . 2 93.38(4)
B3 B8 MgF 33_554 2 73.75(3)
B3 B8 MgF 16_554 2 133.21(5)
B10 B8 MgF 31 2 69.85(2)
MgF B8 MgF 22 2 138.80(4)
B10 B9 B7 . 31_556 115.70(6)
B10 B9 B2 . 33 119.39(3)
B7 B9 B2 31_556 33 58.63(3)
B10 B9 B2 . 16 119.39(3)
B7 B9 B2 31_556 16 58.63(3)
B2 B9 B2 33 16 106.56(5)
B10 B9 B1 . 22_556 127.63(5)
B7 B9 B1 31_556 22_556 108.72(5)
B2 B9 B1 33 22_556 63.89(3)
B2 B9 B1 16 22_556 106.56(4)
B10 B9 B1 . 3_556 127.63(5)
B7 B9 B1 31_556 3_556 108.72(5)
B2 B9 B1 33 3_556 106.56(4)
B2 B9 B1 16 3_556 63.89(3)
B1 B9 B1 22_556 3_556 53.79(4)
B10 B9 MgN . 22_556 70.21(3)
B7 B9 MgN 31_556 22_556 123.97(2)
B2 B9 MgN 33 22_556 70.30(2)
B2 B9 MgN 16 22_556 168.97(5)
B1 B9 MgN 22_556 22_556 62.45(3)
B1 B9 MgN 3_556 22_556 106.35(4)
B10 B9 MgN . 20_556 70.21(3)
B7 B9 MgN 31_556 20_556 123.96(2)
B2 B9 MgN 33 20_556 168.97(5)
B2 B9 MgN 16 20_556 70.30(2)
B1 B9 MgN 22_556 20_556 106.35(4)
B1 B9 MgN 3_556 20_556 62.45(2)
MgN B9 MgN 22_556 20_556 110.67(4)
B10 B9 MgE . 19_556 72.18(5)
B7 B9 MgE 31_556 19_556 172.12(5)
B2 B9 MgE 33 19_556 118.38(3)
B2 B9 MgE 16 19_556 118.38(3)
B1 B9 MgE 22_556 19_556 64.40(4)
B1 B9 MgE 3_556 19_556 64.40(4)
MgN B9 MgE 22_556 19_556 57.40(2)
MgN B9 MgE 20_556 19_556 57.40(2)
B9 B10 B4 . 3_556 122.86(7)
B9 B10 B4 . 22_556 122.86(7)
B4 B10 B4 3_556 22_556 101.83(10)
B9 B10 B8 . 31 129.29(6)
B4 B10 B8 3_556 31 53.69(3)
B4 B10 B8 22_556 31 53.69(3)
B9 B10 B11 . 22_556 123.43(5)
B4 B10 B11 3_556 22_556 107.57(7)
B4 B10 B11 22_556 22_556 62.05(5)
B8 B10 B11 31 22_556 99.81(4)
B9 B10 B11 . 20_556 123.43(5)
B4 B10 B11 3_556 20_556 62.05(5)
B4 B10 B11 22_556 20_556 107.57(7)
B8 B10 B11 31 20_556 99.81(4)
B11 B10 B11 22_556 20_556 59.53(6)
B9 B10 MgF . 16 104.31(3)
B4 B10 MgF 3_556 16 114.64(5)
B4 B10 MgF 22_556 16 18.67(6)
B8 B10 MgF 31 16 61.81(3)
B11 B10 MgF 22_556 16 72.62(5)
B11 B10 MgF 20_556 16 125.02(5)
B9 B10 MgF . 32 104.31(3)
B4 B10 MgF 3_556 32 18.67(6)
B4 B10 MgF 22_556 32 114.64(5)
B8 B10 MgF 31 32 61.81(3)
B11 B10 MgF 22_556 32 125.02(5)
B11 B10 MgF 20_556 32 72.62(5)
MgF B10 MgF 16 32 123.00(7)
B9 B10 MgN . 22_556 70.19(3)
B4 B10 MgN 3_556 22_556 165.69(7)
B4 B10 MgN 22_556 22_556 72.08(4)
B8 B10 MgN 31 22_556 124.636(18)
B11 B10 MgN 22_556 22_556 58.12(3)
B11 B10 MgN 20_556 22_556 106.76(4)
MgF B10 MgN 16 22_556 63.10(3)
MgF B10 MgN 32 22_556 173.22(4)
B9 B10 MgN . 20_556 70.19(3)
B4 B10 MgN 3_556 20_556 72.08(4)
B4 B10 MgN 22_556 20_556 165.69(7)
B8 B10 MgN 31 20_556 124.633(19)
B11 B10 MgN 22_556 20_556 106.76(4)
B11 B10 MgN 20_556 20_556 58.12(3)
MgF B10 MgN 16 20_556 173.22(3)
MgF B10 MgN 32 20_556 63.10(3)
MgN B10 MgN 22_556 20_556 110.64(4)
B9 B10 MgE . 19_556 68.99(4)
B4 B10 MgE 3_556 19_556 119.62(3)
B4 B10 MgE 22_556 19_556 119.62(3)
B8 B10 MgE 31 19_556 161.71(5)
B11 B10 MgE 22_556 19_556 64.60(3)
B11 B10 MgE 20_556 19_556 64.60(4)
MgF B10 MgE 16 19_556 118.01(4)
MgF B10 MgE 32 19_556 118.01(4)
MgN B10 MgE 22_556 19_556 56.760(19)
MgN B10 MgE 20_556 19_556 56.760(19)
B14 B11 B11 . 2 59.37(3)
B14 B11 B11 . 4 59.37(3)
B11 B11 B11 2 4 60.0
B14 B11 B10 . 20_556 104.96(3)
B11 B11 B10 2 20_556 116.29(3)
B11 B11 B10 4 20_556 60.24(3)
B14 B11 B10 . 22_556 104.96(3)
B11 B11 B10 2 22_556 60.24(3)
B11 B11 B10 4 22_556 116.29(3)
B10 B11 B10 20_556 22_556 139.88(6)
B14 B11 B4 . . 101.71(6)
B11 B11 B4 2 . 159.56(6)
B11 B11 B4 4 . 104.99(5)
B10 B11 B4 20_556 . 57.99(3)
B10 B11 B4 22_556 . 138.11(7)
B14 B11 B4 . 24 101.71(6)
B11 B11 B4 2 24 104.99(5)
B11 B11 B4 4 24 159.56(6)
B10 B11 B4 20_556 24 138.11(7)
B10 B11 B4 22_556 24 57.99(3)
B4 B11 B4 . 24 85.45(7)
B14 B11 B12 . . 54.95(4)
B11 B11 B12 2 . 106.29(3)
B11 B11 B12 4 . 106.29(3)
B10 B11 B12 20_556 . 109.46(3)
B10 B11 B12 22_556 . 109.46(3)
B4 B11 B12 . . 62.52(4)
B4 B11 B12 24 . 62.52(4)
B14 B11 MgN . . 179.96(4)
B11 B11 MgN 2 . 120.61(2)
B11 B11 MgN 4 . 120.61(2)
B10 B11 MgN 20_556 . 75.04(3)
B10 B11 MgN 22_556 . 75.04(3)
B4 B11 MgN . . 78.32(6)
B4 B11 MgN 24 . 78.32(6)
B12 B11 MgN . . 125.09(5)
B14 B11 MgE . . 117.77(5)
B11 B11 MgE 2 . 67.529(18)
B11 B11 MgE 4 . 67.529(18)
B10 B11 MgE 20_556 . 71.32(3)
B10 B11 MgE 22_556 . 71.32(3)
B4 B11 MgE . . 122.02(4)
B4 B11 MgE 24 . 122.02(4)
B12 B11 MgE . . 172.71(5)
MgN B11 MgE . . 62.20(3)
B14 B11 MgF . 25 115.56(4)
B11 B11 MgF 2 25 174.67(2)
B11 B11 MgF 4 25 116.63(3)
B10 B11 MgF 20_556 25 62.39(4)
B10 B11 MgF 22_556 25 124.40(5)
B4 B11 MgF . 25 15.14(6)
B4 B11 MgF 24 25 77.15(5)
B12 B11 MgF . 25 70.17(3)
MgN B11 MgF . 25 64.47(3)
MgE B11 MgF . 25 115.69(3)
B14 B11 MgF . 7_455 115.56(4)
B11 B11 MgF 2 7_455 116.63(3)
B11 B11 MgF 4 7_455 174.67(2)
B10 B11 MgF 20_556 7_455 124.40(5)
B10 B11 MgF 22_556 7_455 62.38(4)
B4 B11 MgF . 7_455 77.15(5)
B4 B11 MgF 24 7_455 15.14(6)
B12 B11 MgF . 7_455 70.17(3)
MgN B11 MgF . 7_455 64.47(3)
MgE B11 MgF . 7_455 115.69(3)
MgF B11 MgF 25 7_455 66.39(7)
B3 B12 B3 . 24 146.17(6)
B3 B12 B14 . . 102.69(3)
B3 B12 B14 24 . 102.69(3)
B3 B12 B13 . 20_556 60.28(6)
B3 B12 B13 24 20_556 116.54(6)
B14 B12 B13 . 20_556 59.73(6)
B3 B12 B13 . 22_556 116.54(6)
B3 B12 B13 24 22_556 60.28(6)
B14 B12 B13 . 22_556 59.73(6)
B13 B12 B13 20_556 22_556 59.03(10)
B3 B12 B11 . . 106.11(3)
B3 B12 B11 24 . 106.11(3)
B14 B12 B11 . . 58.40(6)
B13 B12 B11 20_556 . 109.88(5)
B13 B12 B11 22_556 . 109.88(5)
B3 B12 B4 . . 59.07(3)
B3 B12 B4 24 . 135.93(6)
B14 B12 B4 . . 100.36(6)
B13 B12 B4 20_556 . 107.50(6)
B13 B12 B4 22_556 . 159.29(8)
B11 B12 B4 . . 57.38(4)
B3 B12 B4 . 24 135.93(6)
B3 B12 B4 24 24 59.07(3)
B14 B12 B4 . 24 100.36(6)
B13 B12 B4 20_556 24 159.29(8)
B13 B12 B4 22_556 24 107.50(6)
B11 B12 B4 . 24 57.38(4)
B4 B12 B4 . 24 80.20(6)
B3 B12 MgD . 31 73.69(3)
B3 B12 MgD 24 31 73.69(3)
B14 B12 MgD . 31 123.91(6)
B13 B12 MgD 20_556 31 72.09(5)
B13 B12 MgD 22_556 31 72.09(5)
B11 B12 MgD . 31 177.69(5)
B4 B12 MgD . 31 121.11(4)
B4 B12 MgD 24 31 121.11(4)
B3 B12 MgN . 31 78.53(3)
B3 B12 MgN 24 31 78.53(3)
B14 B12 MgN . 31 174.07(6)
B13 B12 MgN 20_556 31 125.07(6)
B13 B12 MgN 22_556 31 125.08(6)
B11 B12 MgN . 31 115.67(4)
B4 B12 MgN . 31 75.18(5)
B4 B12 MgN 24 31 75.19(5)
MgD B12 MgN 31 31 62.02(3)
B3 B12 MgF . 25 63.15(4)
B3 B12 MgF 24 25 123.89(5)
B14 B12 MgF . 25 113.97(5)
B13 B12 MgF 20_556 25 118.31(6)
B13 B12 MgF 22_556 25 173.69(6)
B11 B12 MgF . 25 65.00(3)
B4 B12 MgF . 25 14.64(6)
B4 B12 MgF 24 25 73.26(5)
MgD B12 MgF 31 25 113.12(3)
MgN B12 MgF 31 25 61.23(2)
B3 B12 MgF . 7_455 123.89(5)
B3 B12 MgF 24 7_455 63.15(4)
B14 B12 MgF . 7_455 113.97(5)
B13 B12 MgF 20_556 7_455 173.69(6)
B13 B12 MgF 22_556 7_455 118.31(6)
B11 B12 MgF . 7_455 65.00(3)
B4 B12 MgF . 7_455 73.26(5)
B4 B12 MgF 24 7_455 14.64(6)
MgD B12 MgF 31 7_455 113.12(3)
MgN B12 MgF 31 7_455 61.24(2)
MgF B12 MgF 25 7_455 63.67(6)
B15 B13 B14 . 19_556 105.13(9)
B15 B13 B3 . 3_556 141.03(6)
B14 B13 B3 19_556 3_556 99.11(7)
B15 B13 B3 . 22_556 141.03(6)
B14 B13 B3 19_556 22_556 99.11(7)
B3 B13 B3 3_556 22_556 60.72(7)
B15 B13 B13 . 2 56.85(4)
B14 B13 B13 19_556 2 59.63(5)
B3 B13 B13 3_556 2 158.31(5)
B3 B13 B13 22_556 2 115.07(4)
B15 B13 B13 . 4 56.85(4)
B14 B13 B13 19_556 4 59.63(5)
B3 B13 B13 3_556 4 115.07(4)
B3 B13 B13 22_556 4 158.31(5)
B13 B13 B13 2 4 60.0
B15 B13 B12 . 22_556 112.69(6)
B14 B13 B12 19_556 22_556 57.86(5)
B3 B13 B12 3_556 22_556 105.97(8)
B3 B13 B12 22_556 22_556 57.27(4)
B13 B13 B12 2 22_556 60.49(5)
B13 B13 B12 4 22_556 108.33(5)
B15 B13 B12 . 20_556 112.69(6)
B14 B13 B12 19_556 20_556 57.86(5)
B3 B13 B12 3_556 20_556 57.27(4)
B3 B13 B12 22_556 20_556 105.97(8)
B13 B13 B12 2 20_556 108.33(5)
B13 B13 B12 4 20_556 60.49(5)
B12 B13 B12 22_556 20_556 107.64(9)
B15 B13 MgD . 31 83.34(7)
B14 B13 MgD 19_556 31 171.52(10)
B3 B13 MgD 3_556 31 73.64(6)
B3 B13 MgD 22_556 31 73.64(6)
B13 B13 MgD 2 31 127.13(4)
B13 B13 MgD 4 31 127.13(4)
B12 B13 MgD 22_556 31 119.24(6)
B12 B13 MgD 20_556 31 119.24(6)
B15 B13 MgD . 8 74.11(4)
B14 B13 MgD 19_556 8 113.53(4)
B3 B13 MgD 3_556 8 68.35(3)
B3 B13 MgD 22_556 8 122.73(7)
B13 B13 MgD 2 8 121.88(4)
B13 B13 MgD 4 8 68.18(4)
B12 B13 MgD 22_556 8 169.64(8)
B12 B13 MgD 20_556 8 62.03(3)
MgD B13 MgD 31 8 68.35(4)
B15 B13 MgD . 10_455 74.11(4)
B14 B13 MgD 19_556 10_455 113.53(4)
B3 B13 MgD 3_556 10_455 122.73(7)
B3 B13 MgD 22_556 10_455 68.35(3)
B13 B13 MgD 2 10_455 68.18(4)
B13 B13 MgD 4 10_455 121.88(4)
B12 B13 MgD 22_556 10_455 62.03(3)
B12 B13 MgD 20_556 10_455 169.63(8)
MgD B13 MgD 31 10_455 68.35(4)
MgD B13 MgD 8 10_455 128.28(7)
B12 B14 B12 4 . 115.31(4)
B12 B14 B12 4 2 115.31(4)
B12 B14 B12 . 2 115.31(4)
B12 B14 B13 4 20_556 62.41(4)
B12 B14 B13 . 20_556 62.41(4)
B12 B14 B13 2 20_556 113.02(9)
B12 B14 B13 4 22_556 113.02(9)
B12 B14 B13 . 22_556 62.41(4)
B12 B14 B13 2 22_556 62.41(4)
B13 B14 B13 20_556 22_556 60.73(9)
B12 B14 B13 4 19_556 62.41(4)
B12 B14 B13 . 19_556 113.02(9)
B12 B14 B13 2 19_556 62.41(4)
B13 B14 B13 20_556 19_556 60.73(9)
B13 B14 B13 22_556 19_556 60.73(9)
B12 B14 B11 4 2 117.69(5)
B12 B14 B11 . 2 117.69(5)
B12 B14 B11 2 2 66.65(4)
B13 B14 B11 20_556 2 179.67(7)
B13 B14 B11 22_556 2 119.00(5)
B13 B14 B11 19_556 2 119.00(5)
B12 B14 B11 4 4 66.65(4)
B12 B14 B11 . 4 117.69(5)
B12 B14 B11 2 4 117.69(5)
B13 B14 B11 20_556 4 119.00(5)
B13 B14 B11 22_556 4 179.67(8)
B13 B14 B11 19_556 4 119.00(5)
B11 B14 B11 2 4 61.27(6)
B12 B14 B11 4 . 117.69(5)
B12 B14 B11 . . 66.65(4)
B12 B14 B11 2 . 117.69(5)
B13 B14 B11 20_556 . 119.00(5)
B13 B14 B11 22_556 . 119.00(5)
B13 B14 B11 19_556 . 179.67(8)
B11 B14 B11 2 . 61.27(6)
B11 B14 B11 4 . 61.27(6)
B13 B15 B13 . 19_556 180.0
B13 B15 B13 . 20_556 113.70(9)
B13 B15 B13 19_556 20_556 66.30(9)
B13 B15 B13 . 22_556 113.70(9)
B13 B15 B13 19_556 22_556 66.30(9)
B13 B15 B13 20_556 22_556 66.30(9)
B13 B15 B13 . 4 66.30(9)
B13 B15 B13 19_556 4 113.70(9)
B13 B15 B13 20_556 4 113.70(9)
B13 B15 B13 22_556 4 180.00(7)
B13 B15 B13 . 2 66.30(9)
B13 B15 B13 19_556 2 113.70(9)
B13 B15 B13 20_556 2 180.0
B13 B15 B13 22_556 2 113.70(9)
B13 B15 B13 4 2 66.30(9)
B13 B15 MgD . 32_445 112.88(2)
B13 B15 MgD 19_556 32_445 67.12(2)
B13 B15 MgD 20_556 32_445 123.64(6)
B13 B15 MgD 22_556 32_445 67.12(2)
B13 B15 MgD 4 32_445 112.88(2)
B13 B15 MgD 2 32_445 56.36(6)
B13 B15 MgD . 8 67.12(2)
B13 B15 MgD 19_556 8 112.88(2)
B13 B15 MgD 20_556 8 56.36(6)
B13 B15 MgD 22_556 8 112.88(2)
B13 B15 MgD 4 8 67.12(2)
B13 B15 MgD 2 8 123.64(6)
MgD B15 MgD 32_445 8 180.00(2)
B13 B15 MgD . 31 56.36(6)
B13 B15 MgD 19_556 31 123.64(6)
B13 B15 MgD 20_556 31 67.12(2)
B13 B15 MgD 22_556 31 67.12(2)
B13 B15 MgD 4 31 112.88(2)
B13 B15 MgD 2 31 112.88(2)
MgD B15 MgD 32_445 31 119.089(4)
MgD B15 MgD 8 31 60.911(4)
B13 B15 MgD . 7_445 123.64(6)
B13 B15 MgD 19_556 7_445 56.36(6)
B13 B15 MgD 20_556 7_445 112.88(2)
B13 B15 MgD 22_556 7_445 112.88(2)
B13 B15 MgD 4 7_445 67.12(2)
B13 B15 MgD 2 7_445 67.12(2)
MgD B15 MgD 32_445 7_445 60.911(4)
MgD B15 MgD 8 7_445 119.089(4)
MgD B15 MgD 31 7_445 180.0
B13 B15 MgD . 34_545 112.88(2)
B13 B15 MgD 19_556 34_545 67.12(2)
B13 B15 MgD 20_556 34_545 67.12(2)
B13 B15 MgD 22_556 34_545 123.64(6)
B13 B15 MgD 4 34_545 56.36(6)
B13 B15 MgD 2 34_545 112.88(2)
MgD B15 MgD 32_445 34_545 119.087(4)
MgD B15 MgD 8 34_545 60.913(4)
MgD B15 MgD 31 34_545 119.087(4)
MgD B15 MgD 7_445 34_545 60.913(4)
B13 B15 MgD . 10_455 67.12(2)
B13 B15 MgD 19_556 10_455 112.88(2)
B13 B15 MgD 20_556 10_455 112.88(2)
B13 B15 MgD 22_556 10_455 56.36(6)
B13 B15 MgD 4 10_455 123.64(6)
B13 B15 MgD 2 10_455 67.12(2)
MgD B15 MgD 32_445 10_455 60.913(4)
MgD B15 MgD 8 10_455 119.087(4)
MgD B15 MgD 31 10_455 60.913(4)
MgD B15 MgD 7_445 10_455 119.087(4)
MgD B15 MgD 34_545 10_455 180.0
B11 MgN B12 . 31 119.24(4)
B11 MgN B1 . . 118.93(3)
B12 MgN B1 31 . 115.77(3)
B11 MgN B1 . 24 118.93(3)
B12 MgN B1 31 24 115.77(3)
B1 MgN B1 . 24 49.37(3)
B11 MgN MgD . . 177.10(4)
B12 MgN MgD 31 . 57.86(3)
B1 MgN MgD . . 63.62(2)
B1 MgN MgD 24 . 63.62(2)
B11 MgN MgE . . 64.09(3)
B12 MgN MgE 31 . 176.67(4)
B1 MgN MgE . . 61.29(3)
B1 MgN MgE 24 . 61.29(3)
MgD MgN MgE . . 118.81(3)
B11 MgN B9 . 20_556 84.13(2)
B12 MgN B9 31 20_556 117.75(2)
B1 MgN B9 . 20_556 47.02(2)
B1 MgN B9 24 20_556 92.73(3)
MgD MgN B9 . 20_556 97.25(2)
MgE MgN B9 . 20_556 61.754(19)
B11 MgN B9 . 22_556 84.13(2)
B12 MgN B9 31 22_556 117.76(2)
B1 MgN B9 . 22_556 92.73(3)
B1 MgN B9 24 22_556 47.02(2)
MgD MgN B9 . 22_556 97.25(2)
MgE MgN B9 . 22_556 61.75(2)
B9 MgN B9 20_556 22_556 121.67(4)
B11 MgN B10 . 20_556 46.85(2)
B12 MgN B10 31 20_556 118.88(2)
B1 MgN B10 . 20_556 84.46(2)
B1 MgN B10 24 20_556 119.73(3)
MgD MgN B10 . 20_556 133.77(2)
MgE MgN B10 . 20_556 63.11(2)
B9 MgN B10 20_556 20_556 39.60(2)
B9 MgN B10 22_556 20_556 117.92(3)
B11 MgN B10 . 22_556 46.85(2)
B12 MgN B10 31 22_556 118.88(2)
B1 MgN B10 . 22_556 119.73(3)
B1 MgN B10 24 22_556 84.46(2)
MgD MgN B10 . 22_556 133.77(2)
MgE MgN B10 . 22_556 63.11(2)
B9 MgN B10 20_556 22_556 117.92(3)
B9 MgN B10 22_556 22_556 39.60(2)
B10 MgN B10 20_556 22_556 90.36(4)
B11 MgN MgF . 25 64.45(2)
B12 MgN MgF 31 25 65.47(2)
B1 MgN MgF . 25 122.12(3)
B1 MgN MgF 24 25 171.44(4)
MgD MgN MgF . 25 113.23(2)
MgE MgN MgF . 25 117.17(3)
B9 MgN MgF 20_556 25 79.61(3)
B9 MgN MgF 22_556 25 140.86(4)
B10 MgN MgF 20_556 25 55.88(2)
B10 MgN MgF 22_556 25 102.45(3)
B11 MgN MgF . 7_455 64.45(2)
B12 MgN MgF 31 7_455 65.47(2)
B1 MgN MgF . 7_455 171.44(4)
B1 MgN MgF 24 7_455 122.11(3)
MgD MgN MgF . 7_455 113.23(2)
MgE MgN MgF . 7_455 117.17(3)
B9 MgN MgF 20_556 7_455 140.86(4)
B9 MgN MgF 22_556 7_455 79.61(3)
B10 MgN MgF 20_556 7_455 102.45(3)
B10 MgN MgF 22_556 7_455 55.88(3)
MgF MgN MgF 25 7_455 66.38(6)
B13 MgD B12 31 31 114.60(5)
B13 MgD B2 31 24 87.88(3)
B12 MgD B2 31 24 126.690(19)
B13 MgD B2 31 . 87.87(3)
B12 MgD B2 31 . 126.688(19)
B2 MgD B2 24 . 100.24(3)
B13 MgD MgN 31 . 174.71(5)
B12 MgD MgN 31 . 60.12(3)
B2 MgD MgN 24 . 95.50(2)
B2 MgD MgN . . 95.50(2)
B13 MgD B3 31 33_554 46.76(4)
B12 MgD B3 31 33_554 148.02(3)
B2 MgD B3 24 33_554 44.26(2)
B2 MgD B3 . 33_554 82.68(2)
MgN MgD B3 . 33_554 137.67(3)
B13 MgD B3 31 16_554 46.76(4)
B12 MgD B3 31 16_554 148.01(3)
B2 MgD B3 24 16_554 82.69(2)
B2 MgD B3 . 16_554 44.26(2)
MgN MgD B3 . 16_554 137.67(3)
B3 MgD B3 33_554 16_554 45.13(3)
B13 MgD B2 31 11 114.786(18)
B12 MgD B2 31 11 83.08(2)
B2 MgD B2 24 11 132.27(3)
B2 MgD B2 . 11 44.13(3)
MgN MgD B2 . 11 65.670(17)
B3 MgD B2 33_554 11 126.73(2)
B3 MgD B2 16_554 11 84.42(2)
B13 MgD B2 31 26_455 114.788(17)
B12 MgD B2 31 26_455 83.09(2)
B2 MgD B2 24 26_455 44.13(3)
B2 MgD B2 . 26_455 132.27(3)
MgN MgD B2 . 26_455 65.671(17)
B3 MgD B2 33_554 26_455 84.42(2)
B3 MgD B2 16_554 26_455 126.73(2)
B2 MgD B2 11 26_455 129.90(4)
B13 MgD B13 31 14_554 74.41(7)
B12 MgD B13 31 14_554 45.88(4)
B2 MgD B13 24 14_554 105.88(4)
B2 MgD B13 . 14_554 147.57(5)
MgN MgD B13 . 14_554 100.70(4)
B3 MgD B13 33_554 14_554 102.92(4)
B3 MgD B13 16_554 14_554 120.58(4)
B2 MgD B13 11 14_554 120.15(4)
B2 MgD B13 26_455 14_554 80.14(4)
B13 MgD B13 31 16_554 74.41(7)
B12 MgD B13 31 16_554 45.88(4)
B2 MgD B13 24 16_554 147.58(5)
B2 MgD B13 . 16_554 105.88(4)
MgN MgD B13 . 16_554 100.70(4)
B3 MgD B13 33_554 16_554 120.58(4)
B3 MgD B13 16_554 16_554 102.92(4)
B2 MgD B13 11 16_554 80.14(4)
B2 MgD B13 26_455 16_554 120.15(4)
B13 MgD B13 14_554 16_554 43.64(8)
B13 MgD B3 31 31 110.61(4)
B12 MgD B3 31 31 43.372(16)
B2 MgD B3 24 31 84.05(2)
B2 MgD B3 . 31 161.26(3)
MgN MgD B3 . 31 65.84(2)
B3 MgD B3 33_554 31 111.948(17)
B3 MgD B3 16_554 31 154.04(3)
B2 MgD B3 11 31 120.70(3)
B2 MgD B3 26_455 31 43.13(2)
B13 MgD B3 14_554 31 43.36(4)
B13 MgD B3 16_554 31 77.40(4)
MgN MgE MgN . 2 116.996(14)
MgN MgE MgN . 4 116.996(14)
MgN MgE MgN 2 4 116.996(14)
MgN MgE B1 . 21 141.06(3)
MgN MgE B1 2 21 58.125(18)
MgN MgE B1 4 21 95.06(2)
MgN MgE B1 . 4 141.06(3)
MgN MgE B1 2 4 95.06(2)
MgN MgE B1 4 4 58.125(18)
B1 MgE B1 21 4 42.37(3)
MgN MgE B1 . 2 95.06(2)
MgN MgE B1 2 2 58.125(18)
MgN MgE B1 4 2 141.06(3)
B1 MgE B1 21 2 47.71(3)
B1 MgE B1 4 2 83.14(3)
MgN MgE B1 . . 58.125(18)
MgN MgE B1 2 . 141.06(3)
MgN MgE B1 4 . 95.06(2)
B1 MgE B1 21 . 99.95(4)
B1 MgE B1 4 . 83.14(3)
B1 MgE B1 2 . 83.14(3)
MgN MgE B1 . 23 95.06(2)
MgN MgE B1 2 23 141.06(3)
MgN MgE B1 4 23 58.125(18)
B1 MgE B1 21 23 83.14(3)
B1 MgE B1 4 23 47.71(3)
B1 MgE B1 2 23 99.95(4)
B1 MgE B1 . 23 42.37(3)
MgN MgE B1 . 24 58.125(18)
MgN MgE B1 2 24 95.06(2)
MgN MgE B1 4 24 141.06(3)
B1 MgE B1 21 24 83.14(3)
B1 MgE B1 4 24 99.95(4)
B1 MgE B1 2 24 42.37(3)
B1 MgE B1 . 24 47.71(3)
B1 MgE B1 23 24 83.14(3)
MgN MgE B11 . . 53.72(3)
MgN MgE B11 2 . 93.44(3)
MgN MgE B11 4 . 93.44(3)
B1 MgE B11 21 . 151.02(3)
B1 MgE B11 4 . 151.02(3)
B1 MgE B11 2 . 124.451(19)
B1 MgE B11 . . 106.82(2)
B1 MgE B11 23 . 124.451(19)
B1 MgE B11 24 . 106.82(2)
MgN MgE B11 . 4 93.44(3)
MgN MgE B11 2 4 93.44(3)
MgN MgE B11 4 4 53.72(3)
B1 MgE B11 21 4 124.451(19)
B1 MgE B11 4 4 106.82(2)
B1 MgE B11 2 4 151.02(3)
B1 MgE B11 . 4 124.451(19)
B1 MgE B11 23 4 106.82(2)
B1 MgE B11 24 4 151.02(3)
B11 MgE B11 . 4 44.94(4)
MgN MgE B11 . 2 93.44(3)
MgN MgE B11 2 2 53.72(3)
MgN MgE B11 4 2 93.44(3)
B1 MgE B11 21 2 106.82(2)
B1 MgE B11 4 2 124.451(19)
B1 MgE B11 2 2 106.82(2)
B1 MgE B11 . 2 151.02(3)
B1 MgE B11 23 2 151.02(3)
B1 MgE B11 24 2 124.451(19)
B11 MgE B11 . 2 44.94(4)
B11 MgE B11 4 2 44.94(4)
B4 MgF B4 25 36_544 168.1(2)
B4 MgF B8 25 20 41.91(9)
B4 MgF B8 36_544 20 149.94(15)
B4 MgF B8 25 4 149.94(15)
B4 MgF B8 36_544 4 41.91(9)
B8 MgF B8 20 4 108.26(8)
B4 MgF B10 25 34_545 138.86(5)
B4 MgF B10 36_544 34_545 43.94(5)
B8 MgF B10 20 34_545 118.52(6)
B8 MgF B10 4 34_545 48.34(3)
B4 MgF B10 25 8_554 43.94(5)
B4 MgF B10 36_544 8_554 138.86(5)
B8 MgF B10 20 8_554 48.34(3)
B8 MgF B10 4 8_554 118.52(6)
B10 MgF B10 34_545 8_554 161.61(9)
B4 MgF B3 25 36_544 140.10(5)
B4 MgF B3 36_544 36_544 42.02(5)
B8 MgF B3 20 36_544 124.98(6)
B8 MgF B3 4 36_544 44.71(3)
B10 MgF B3 34_545 36_544 80.62(2)
B10 MgF B3 8_554 36_544 97.21(3)
B4 MgF B3 25 25 42.02(5)
B4 MgF B3 36_544 25 140.10(5)
B8 MgF B3 20 25 44.71(3)
B8 MgF B3 4 25 124.98(6)
B10 MgF B3 34_545 25 97.21(3)
B10 MgF B3 8_554 25 80.62(2)
B3 MgF B3 36_544 25 166.54(8)
B4 MgF B11 25 25 36.14(8)
B4 MgF B11 36_544 25 133.97(13)
B8 MgF B11 20 25 74.07(2)
B8 MgF B11 4 25 156.36(3)
B10 MgF B11 34_545 25 151.91(6)
B10 MgF B11 8_554 25 44.99(2)
B3 MgF B11 36_544 25 113.96(3)
B3 MgF B11 25 25 73.87(3)
B4 MgF B11 25 13_544 133.97(13)
B4 MgF B11 36_544 13_544 36.14(8)
B8 MgF B11 20 13_544 156.36(3)
B8 MgF B11 4 13_544 74.07(2)
B10 MgF B11 34_545 13_544 44.99(2)
B10 MgF B11 8_554 13_544 151.91(6)
B3 MgF B11 36_544 13_544 73.87(3)
B3 MgF B11 25 13_544 113.96(3)
B11 MgF B11 25 13_544 113.61(7)
B4 MgF MgN 25 25 84.73(8)
B4 MgF MgN 36_544 25 88.78(8)
B8 MgF MgN 20 25 109.16(2)
B8 MgF MgN 4 25 108.26(2)
B10 MgF MgN 34_545 25 131.26(4)
B10 MgF MgN 8_554 25 61.02(2)
B3 MgF MgN 36_544 25 63.62(2)
B3 MgF MgN 25 25 124.93(4)
B11 MgF MgN 25 25 51.08(3)
B11 MgF MgN 13_544 25 91.66(4)
B4 MgF MgN 25 13_544 88.78(8)
B4 MgF MgN 36_544 13_544 84.72(8)
B8 MgF MgN 20 13_544 108.26(2)
B8 MgF MgN 4 13_544 109.16(2)
B10 MgF MgN 34_545 13_544 61.02(2)
B10 MgF MgN 8_554 13_544 131.26(4)
B3 MgF MgN 36_544 13_544 124.93(4)
B3 MgF MgN 25 13_544 63.62(2)
B11 MgF MgN 25 13_544 91.66(4)
B11 MgF MgN 13_544 13_544 51.07(3)
MgN MgF MgN 25 13_544 113.62(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
B1 B7 20_556 1.7061(9)
B1 B1 23 1.7441(12)
B1 B2 . 1.7909(8)
B1 B9 20_556 1.9279(10)
B1 B1 24 1.9515(12)
B1 B2 11 2.0394(8)
B1 MgN . 2.3363(7)
B1 MgE . 2.4130(8)
B1 MgD . 2.4754(8)
B2 B3 16_554 1.7785(8)
B2 B2 11 1.7842(11)
B2 B7 20_556 1.8389(8)
B2 B9 8_554 1.9266(8)
B2 B1 11 2.0394(8)
B2 MgD . 2.3488(7)
B2 MgD 28 2.3988(6)
B2 MgN 28 2.5803(6)
B3 B12 . 1.7446(6)
B3 B8 8 1.7667(9)
B3 B2 8 1.7785(8)
B3 B13 20_556 1.8010(15)
B3 B3 23 1.8205(12)
B3 B4 . 1.8690(14)
B3 MgD 8 2.3723(7)
B3 MgF 25 2.4108(6)
B3 MgD 31 2.4382(7)
B3 MgN 31 2.6082(7)
B4 MgF 25 0.848(2)
B4 B8 8 1.6753(12)
B4 B4 18 1.687(4)
B4 B10 20_556 1.8378(12)
B4 B11 . 1.9145(16)
B4 B12 . 2.0165(16)
B4 MgN . 2.5964(9)
B4 MgN 31 2.6540(10)
B4 MgF 7_455 2.8150(16)
B5 B7 . 1.7117(11)
B5 B6 20_556 1.7626(8)
B5 B6 22_556 1.7626(8)
B5 B6 1_556 1.7976(11)
B5 B5 2 1.8039(14)
B5 B5 4 1.8039(14)
B6 B8 . 1.7067(12)
B6 B6 22 1.7455(9)
B6 B6 20 1.7455(9)
B6 B5 22_556 1.7626(8)
B6 B5 20_556 1.7626(8)
B6 B5 1_554 1.7976(11)
B6 MgF 2 2.8691(16)
B6 MgF 22 2.8691(16)
B7 B1 22_556 1.7061(9)
B7 B1 3_556 1.7061(9)
B7 B9 31_556 1.8250(12)
B7 B2 3_556 1.8389(8)
B7 B2 22_556 1.8389(8)
B8 B4 33_554 1.6753(12)
B8 B4 16_554 1.6754(12)
B8 B3 33_554 1.7667(9)
B8 B3 16_554 1.7668(9)
B8 B10 31 1.8715(11)
B8 MgF 22 2.2078(10)
B8 MgF 2 2.2078(10)
B9 B10 . 1.6831(11)
B9 B7 31_556 1.8250(12)
B9 B2 33 1.9266(8)
B9 B2 16 1.9267(8)
B9 B1 22_556 1.9279(10)
B9 B1 3_556 1.9279(10)
B9 MgN 22_556 2.4844(6)
B9 MgN 20_556 2.4844(6)
B9 MgE 19_556 2.5060(8)
B10 B4 3_556 1.8378(12)
B10 B4 22_556 1.8378(12)
B10 B8 31 1.8715(11)
B10 B11 22_556 1.8763(7)
B10 B11 20_556 1.8763(7)
B10 MgF 16 2.3515(5)
B10 MgF 32 2.3516(5)
B10 MgN 22_556 2.4848(6)
B10 MgN 20_556 2.4848(6)
B10 MgE 19_556 2.5556(10)
B11 B14 . 1.8279(15)
B11 B11 2 1.8629(14)
B11 B11 4 1.8629(14)
B11 B10 20_556 1.8763(7)
B11 B10 22_556 1.8763(7)
B11 B4 24 1.9145(16)
B11 B12 . 1.9703(11)
B11 MgN . 2.1840(9)
B11 MgE . 2.4370(12)
B11 MgF 25 2.5328(11)
B11 MgF 7_455 2.5329(11)
B12 B3 24 1.7446(6)
B12 B14 . 1.7568(8)
B12 B13 20_556 1.8389(11)
B12 B13 22_556 1.8389(11)
B12 B4 24 2.0165(16)
B12 MgD 31 2.2623(9)
B12 MgN 31 2.3166(9)
B12 MgF 25 2.6289(11)
B12 MgF 7_455 2.6290(11)
B13 B15 . 1.6566(16)
B13 B14 19_556 1.792(2)
B13 B3 3_556 1.8010(15)
B13 B3 22_556 1.8010(15)
B13 B13 2 1.812(3)
B13 B13 4 1.812(3)
B13 B12 22_556 1.8389(11)
B13 B12 20_556 1.8389(11)
B13 MgD 31 2.1326(17)
B13 MgD 8 2.4373(9)
B13 MgD 10_455 2.4374(9)
B14 B12 4 1.7568(8)
B14 B12 2 1.7568(8)
B14 B13 20_556 1.792(2)
B14 B13 22_556 1.792(2)
B14 B13 19_556 1.792(2)
B14 B11 2 1.8279(15)
B14 B11 4 1.8279(15)
B15 B13 19_556 1.6566(16)
B15 B13 20_556 1.6566(16)
B15 B13 22_556 1.6566(16)
B15 B13 4 1.6566(16)
B15 B13 2 1.6566(16)
B15 MgD 32_445 2.5443(6)
B15 MgD 8 2.5443(6)
B15 MgD 31 2.5443(6)
B15 MgD 7_445 2.5443(6)
B15 MgD 34_545 2.5444(6)
B15 MgD 10_455 2.5444(6)
MgN B12 31 2.3166(9)
MgN B1 24 2.3363(7)
MgN MgD . 2.3596(7)
MgN MgE . 2.3966(6)
MgN B9 20_556 2.4844(6)
MgN B9 22_556 2.4844(6)
MgN B10 20_556 2.4848(6)
MgN B10 22_556 2.4848(6)
MgN MgF 25 2.5333(10)
MgN MgF 7_455 2.5333(10)
MgD B13 31 2.1326(17)
MgD B12 31 2.2623(9)
MgD B2 24 2.3488(7)
MgD B3 33_554 2.3723(7)
MgD B3 16_554 2.3724(7)
MgD B2 11 2.3987(6)
MgD B2 26_455 2.3988(6)
MgD B13 14_554 2.4373(9)
MgD B13 16_554 2.4373(9)
MgD B3 31 2.4382(7)
MgE MgN 2 2.3966(6)
MgE MgN 4 2.3966(6)
MgE B1 21 2.4130(8)
MgE B1 4 2.4130(8)
MgE B1 2 2.4130(8)
MgE B1 23 2.4130(8)
MgE B1 24 2.4130(8)
MgE B11 4 2.4370(12)
MgE B11 2 2.4370(12)
MgF B4 25 0.848(2)
MgF B4 36_544 0.848(2)
MgF B8 20 2.2078(10)
MgF B8 4 2.2078(10)
MgF B10 34_545 2.3516(5)
MgF B10 8_554 2.3516(5)
MgF B3 36_544 2.4108(6)
MgF B3 25 2.4108(6)
MgF B11 25 2.5328(11)
MgF B11 13_544 2.5329(11)
MgF MgN 25 2.5333(10)
MgF MgN 13_544 2.5333(10)
