#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:04:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180371 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/40/7204017.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_7204017
loop_
_publ_author_name
'Liddell, Katharine'
'Thompson, Derek P.'
_publ_section_title
;
 The crystal structure of Y3Si5N9O and revision of the compositions of
 some high nitrogen-containing M--Si--O--N (M = Y, La) phases
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              507
_journal_paper_doi               10.1039/b006053o
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'N9 O Si5 Y3'
_chemical_formula_weight         549.27
_chemical_name_systematic
; 
 Yttrium silicon nitride oxide 
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_hydrogens   geom
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.9697(6)
_cell_length_b                   16.1192(11)
_cell_length_c                   10.6277(17)
_cell_measurement_temperature    150(2)
_cell_volume                     851.36(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.69290
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5481
_diffrn_reflns_theta_full        29.27
_diffrn_reflns_theta_max         29.27
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    20.982
_exptl_absorpt_correction_T_max  0.8176
_exptl_absorpt_correction_T_min  0.6220
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.920
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0307
_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)+(0.0390P)²+4.3251P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                1173
_reflns_number_total             1240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006053o.txt
_cod_data_source_block           y3si5n9o
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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      Pbcm
_cod_database_code               7204017
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, 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
Y1 Y 0.16559(7) 0.60028(2) 0.57261(3) 0.00337(12) Uani 1 1 d . . .
Y2 Y 0.20293(10) 0.70379(3) 0.2500 0.00382(13) Uani 1 2 d S . .
Si1 Si 0.6824(3) 0.7500 0.5000 0.0041(3) Uani 1 2 d S . .
Si2 Si -0.2524(3) 0.66954(9) 0.7500 0.0042(3) Uani 1 2 d S . .
Si3 Si 0.3944(2) 0.42355(6) 0.60375(10) 0.0040(2) Uani 1 1 d . . .
Si4 Si -0.1112(3) 0.47283(9) 0.7500 0.0038(3) Uani 1 2 d S . .
O1 O 0.4152(8) 0.6662(2) 0.7500 0.0078(7) Uani 1 2 d S . .
N1 N 0.4763(7) 0.6707(2) 0.4434(3) 0.0050(6) Uani 1 1 d . . .
N2 N -0.1111(7) 0.7173(2) 0.6204(3) 0.0055(6) Uani 1 1 d . . .
N3 N 0.5000 0.5000 0.5000 0.0043(8) Uani 1 2 d S . .
N4 N -0.0515(7) 0.5682(2) 0.3798(3) 0.0073(6) Uani 1 1 d . . .
N5 N 0.4416(9) 0.5625(3) 0.2500 0.0037(8) Uani 1 2 d S . .
N6 N -0.0961(10) 0.5759(3) 0.7500 0.0050(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
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N6 Y1 N1 157.01(13) . . ?
N6 Y1 N4 114.15(13) . . ?
N1 Y1 N4 84.24(12) . . ?
N6 Y1 N2 68.83(13) . . ?
N1 Y1 N2 96.94(11) . . ?
N4 Y1 N2 95.39(11) . . ?
N6 Y1 N3 121.67(11) . . ?
N1 Y1 N3 71.87(8) . . ?
N4 Y1 N3 83.83(8) . . ?
N2 Y1 N3 168.81(8) . . ?
N6 Y1 O1 74.77(12) . . ?
N1 Y1 O1 84.81(11) . . ?
N4 Y1 O1 166.33(12) . . ?
N2 Y1 O1 77.84(12) . . ?
N3 Y1 O1 100.49(9) . . ?
N6 Y1 N4 65.12(13) . 5_566 ?
N1 Y1 N4 134.39(10) . 5_566 ?
N4 Y1 N4 81.58(12) . 5_566 ?
N2 Y1 N4 127.35(10) . 5_566 ?
N3 Y1 N4 63.65(7) . 5_566 ?
O1 Y1 N4 112.00(10) . 5_566 ?
N6 Y1 Si3 157.25(11) . 5_666 ?
N1 Y1 Si3 36.38(8) . 5_666 ?
N4 Y1 Si3 75.90(8) . 5_666 ?
N2 Y1 Si3 132.43(8) . 5_666 ?
N3 Y1 Si3 36.58(2) . 5_666 ?
O1 Y1 Si3 99.76(8) . 5_666 ?
N4 Y1 Si3 98.02(7) 5_566 5_666 ?
N6 Y1 Si2 33.99(11) . . ?
N1 Y1 Si2 129.53(9) . . ?
N4 Y1 Si2 107.87(8) . . ?
N2 Y1 Si2 34.84(8) . . ?
N3 Y1 Si2 155.48(3) . . ?
O1 Y1 Si2 73.31(9) . . ?
N4 Y1 Si2 96.08(7) 5_566 . ?
Si3 Y1 Si2 165.81(4) 5_666 . ?
N6 Y1 Si3 87.88(11) . . ?
N1 Y1 Si3 105.39(8) . . ?
N4 Y1 Si3 93.39(9) . . ?
N2 Y1 Si3 156.70(8) . . ?
N3 Y1 Si3 34.14(2) . . ?
O1 Y1 Si3 97.40(9) . . ?
N4 Y1 Si3 33.44(7) 5_566 . ?
Si3 Y1 Si3 70.72(3) 5_666 . ?
Si2 Y1 Si3 121.87(3) . . ?
N6 Y1 Si4 31.65(11) . . ?
N1 Y1 Si4 163.94(9) . . ?
N4 Y1 Si4 100.29(9) . . ?
N2 Y1 Si4 97.94(8) . . ?
N3 Y1 Si4 93.17(3) . . ?
O1 Y1 Si4 92.47(8) . . ?
N4 Y1 Si4 33.49(7) 5_566 . ?
Si3 Y1 Si4 129.55(4) 5_666 . ?
Si2 Y1 Si4 63.98(4) . . ?
Si3 Y1 Si4 59.19(3) . . ?
N6 Y1 Si3 88.27(10) . 5_566 ?
N1 Y1 Si3 105.74(8) . 5_566 ?
N4 Y1 Si3 28.50(8) . 5_566 ?
N2 Y1 Si3 74.55(8) . 5_566 ?
N3 Y1 Si3 108.05(2) . 5_566 ?
O1 Y1 Si3 151.38(9) . 5_566 ?
N4 Y1 Si3 79.88(7) 5_566 5_566 ?
Si3 Y1 Si3 104.31(3) 5_666 5_566 ?
Si2 Y1 Si3 79.72(3) . 5_566 ?
Si3 Y1 Si3 104.96(3) . 5_566 ?
Si4 Y1 Si3 84.08(3) . 5_566 ?
O1 Y2 N2 79.74(11) 7_575 7_575 ?
O1 Y2 N2 79.74(11) 7_575 4_566 ?
N2 Y2 N2 68.75(15) 7_575 4_566 ?
O1 Y2 N1 86.96(10) 7_575 . ?
N2 Y2 N1 156.29(11) 7_575 . ?
N2 Y2 N1 89.71(10) 4_566 . ?
O1 Y2 N1 86.96(10) 7_575 6_556 ?
N2 Y2 N1 89.71(10) 7_575 6_556 ?
N2 Y2 N1 156.29(11) 4_566 6_556 ?
N1 Y2 N1 109.23(15) . 6_556 ?
O1 Y2 N5 125.77(14) 7_575 . ?
N2 Y2 N5 139.29(9) 7_575 . ?
N2 Y2 N5 139.29(9) 4_566 . ?
N1 Y2 N5 64.10(8) . . ?
N1 Y2 N5 64.10(8) 6_556 . ?
O1 Y2 N4 151.16(7) 7_575 6_556 ?
N2 Y2 N4 81.03(10) 7_575 6_556 ?
N2 Y2 N4 112.68(11) 4_566 6_556 ?
N1 Y2 N4 117.84(10) . 6_556 ?
N1 Y2 N4 71.64(10) 6_556 6_556 ?
N5 Y2 N4 61.93(11) . 6_556 ?
O1 Y2 N4 151.16(7) 7_575 . ?
N2 Y2 N4 112.68(10) 7_575 . ?
N2 Y2 N4 81.03(10) 4_566 . ?
N1 Y2 N4 71.64(10) . . ?
N1 Y2 N4 117.84(10) 6_556 . ?
N5 Y2 N4 61.93(11) . . ?
N4 Y2 N4 57.32(13) 6_556 . ?
O1 Y2 Si4 162.39(11) 7_575 5_566 ?
N2 Y2 Si4 114.43(8) 7_575 5_566 ?
N2 Y2 Si4 114.43(8) 4_566 5_566 ?
N1 Y2 Si4 82.88(8) . 5_566 ?
N1 Y2 Si4 82.88(8) 6_556 5_566 ?
N5 Y2 Si4 36.61(11) . 5_566 ?
N4 Y2 Si4 34.97(7) 6_556 5_566 ?
N4 Y2 Si4 34.97(7) . 5_566 ?
O1 Y2 Si2 74.65(10) 7_575 7_575 ?
N2 Y2 Si2 34.48(7) 7_575 7_575 ?
N2 Y2 Si2 34.48(7) 4_566 7_575 ?
N1 Y2 Si2 122.82(7) . 7_575 ?
N1 Y2 Si2 122.82(7) 6_556 7_575 ?
N5 Y2 Si2 159.57(11) . 7_575 ?
N4 Y2 Si2 100.51(7) 6_556 7_575 ?
N4 Y2 Si2 100.51(7) . 7_575 ?
Si4 Y2 Si2 122.96(5) 5_566 7_575 ?
O1 Y2 Si3 106.64(9) 7_575 5_666 ?
N2 Y2 Si3 171.87(8) 7_575 5_666 ?
N2 Y2 Si3 116.85(8) 4_566 5_666 ?
N1 Y2 Si3 31.50(8) . 5_666 ?
N1 Y2 Si3 85.67(8) 6_556 5_666 ?
N5 Y2 Si3 32.67(5) . 5_666 ?
N4 Y2 Si3 91.16(7) 6_556 5_666 ?
N4 Y2 Si3 64.09(7) . 5_666 ?
Si4 Y2 Si3 58.37(3) 5_566 5_666 ?
Si2 Y2 Si3 151.32(2) 7_575 5_666 ?
O1 Y2 Si3 106.64(9) 7_575 2_664 ?
N2 Y2 Si3 116.85(8) 7_575 2_664 ?
N2 Y2 Si3 171.87(8) 4_566 2_664 ?
N1 Y2 Si3 85.67(8) . 2_664 ?
N1 Y2 Si3 31.50(8) 6_556 2_664 ?
N5 Y2 Si3 32.67(5) . 2_664 ?
N4 Y2 Si3 64.09(7) 6_556 2_664 ?
N4 Y2 Si3 91.16(7) . 2_664 ?
Si4 Y2 Si3 58.37(3) 5_566 2_664 ?
Si2 Y2 Si3 151.32(2) 7_575 2_664 ?
Si3 Y2 Si3 56.93(4) 5_666 2_664 ?
N2 Si1 N2 106.9(2) 1_655 4_666 ?
N2 Si1 N1 112.42(15) 1_655 . ?
N2 Si1 N1 108.52(15) 4_666 . ?
N2 Si1 N1 108.52(15) 1_655 4_566 ?
N2 Si1 N1 112.42(15) 4_666 4_566 ?
N1 Si1 N1 108.1(2) . 4_566 ?
O1 Si2 N6 115.3(2) 1_455 . ?
O1 Si2 N2 114.91(14) 1_455 6_557 ?
N6 Si2 N2 102.14(16) . 6_557 ?
O1 Si2 N2 114.91(14) 1_455 . ?
N6 Si2 N2 102.14(16) . . ?
N2 Si2 N2 105.8(2) 6_557 . ?
O1 Si2 Y1 132.49(9) 1_455 6_557 ?
N6 Si2 Y1 49.94(10) . 6_557 ?
N2 Si2 Y1 52.20(11) 6_557 6_557 ?
N2 Si2 Y1 112.51(13) . 6_557 ?
O1 Si2 Y1 132.49(9) 1_455 . ?
N6 Si2 Y1 49.94(10) . . ?
N2 Si2 Y1 112.51(13) 6_557 . ?
N2 Si2 Y1 52.20(12) . . ?
Y1 Si2 Y1 77.27(4) 6_557 . ?
O1 Si2 Y2 139.83(16) 1_455 7_576 ?
N6 Si2 Y2 104.83(18) . 7_576 ?
N2 Si2 Y2 53.08(12) 6_557 7_576 ?
N2 Si2 Y2 53.08(12) . 7_576 ?
Y1 Si2 Y2 74.74(3) 6_557 7_576 ?
Y1 Si2 Y2 74.74(3) . 7_576 ?
O1 Si2 Y2 38.92(14) 1_455 7_476 ?
N6 Si2 Y2 154.26(18) . 7_476 ?
N2 Si2 Y2 93.22(12) 6_557 7_476 ?
N2 Si2 Y2 93.22(12) . 7_476 ?
Y1 Si2 Y2 140.53(2) 6_557 7_476 ?
Y1 Si2 Y2 140.53(2) . 7_476 ?
Y2 Si2 Y2 100.91(4) 7_576 7_476 ?
N4 Si3 N1 117.86(17) 5_566 5_666 ?
N4 Si3 N3 108.05(13) 5_566 . ?
N1 Si3 N3 109.16(12) 5_666 . ?
N4 Si3 N5 110.98(18) 5_566 5_666 ?
N1 Si3 N5 101.27(19) 5_666 5_666 ?
N3 Si3 N5 109.20(15) . 5_666 ?
N4 Si3 Y1 145.30(12) 5_566 5_666 ?
N1 Si3 Y1 54.22(11) 5_666 5_666 ?
N3 Si3 Y1 57.06(3) . 5_666 ?
N5 Si3 Y1 103.69(14) 5_666 5_666 ?
N4 Si3 Y1 64.80(12) 5_566 . ?
N1 Si3 Y1 156.90(12) 5_666 . ?
N3 Si3 Y1 52.22(3) . . ?
N5 Si3 Y1 98.45(15) 5_666 . ?
Y1 Si3 Y1 109.28(3) 5_666 . ?
N4 Si3 Y2 127.51(13) 5_566 5_666 ?
N1 Si3 Y2 49.85(11) 5_666 5_666 ?
N3 Si3 Y2 124.36(5) . 5_666 ?
N5 Si3 Y2 51.56(15) 5_666 5_666 ?
Y1 Si3 Y2 76.25(3) 5_666 5_666 ?
Y1 Si3 Y2 149.15(4) . 5_666 ?
N4 Si3 Y1 41.22(11) 5_566 5_566 ?
N1 Si3 Y1 92.61(12) 5_666 5_566 ?
N3 Si3 Y1 88.70(4) . 5_566 ?
N5 Si3 Y1 151.84(13) 5_666 5_566 ?
Y1 Si3 Y1 104.31(3) 5_666 5_566 ?
Y1 Si3 Y1 75.04(3) . 5_566 ?
Y2 Si3 Y1 134.32(3) 5_666 5_566 ?
N6 Si4 N4 111.17(16) . 2_565 ?
N6 Si4 N4 111.17(16) . 5_566 ?
N4 Si4 N4 105.7(2) 2_565 5_566 ?
N6 Si4 N5 111.7(2) . 5_566 ?
N4 Si4 N5 108.41(15) 2_565 5_566 ?
N4 Si4 N5 108.41(15) 5_566 5_566 ?
N6 Si4 Y2 173.48(19) . 5_566 ?
N4 Si4 Y2 72.32(13) 2_565 5_566 ?
N4 Si4 Y2 72.32(13) 5_566 5_566 ?
N5 Si4 Y2 61.75(15) 5_566 5_566 ?
N6 Si4 Y1 47.16(10) . 6_557 ?
N4 Si4 Y1 64.07(12) 2_565 6_557 ?
N4 Si4 Y1 121.97(13) 5_566 6_557 ?
N5 Si4 Y1 129.40(10) 5_566 6_557 ?
Y2 Si4 Y1 136.25(3) 5_566 6_557 ?
N6 Si4 Y1 47.16(10) . . ?
N4 Si4 Y1 121.97(13) 2_565 . ?
N4 Si4 Y1 64.07(12) 5_566 . ?
N5 Si4 Y1 129.40(10) 5_566 . ?
Y2 Si4 Y1 136.25(3) 5_566 . ?
Y1 Si4 Y1 74.65(4) 6_557 . ?
Si2 O1 Y2 114.8(2) 1_655 7_576 ?
Si2 O1 Y1 120.74(12) 1_655 . ?
Y2 O1 Y1 99.02(12) 7_576 . ?
Si2 O1 Y1 120.74(12) 1_655 6_557 ?
Y2 O1 Y1 99.02(12) 7_576 6_557 ?
Y1 O1 Y1 98.20(14) . 6_557 ?
Si3 N1 Si1 121.8(2) 5_666 . ?
Si3 N1 Y1 89.41(14) 5_666 . ?
Si1 N1 Y1 122.44(16) . . ?
Si3 N1 Y2 98.65(14) 5_666 . ?
Si1 N1 Y2 116.23(15) . . ?
Y1 N1 Y2 102.93(12) . . ?
Si1 N2 Si2 119.1(2) 1_455 . ?
Si1 N2 Y1 115.24(16) 1_455 . ?
Si2 N2 Y1 92.96(14) . . ?
Si1 N2 Y2 129.87(17) 1_455 7_576 ?
Si2 N2 Y2 92.44(14) . 7_576 ?
Y1 N2 Y2 99.41(12) . 7_576 ?
Si3 N3 Si3 180.00(5) . 5_666 ?
Si3 N3 Y1 86.36(4) . 5_666 ?
Si3 N3 Y1 93.64(4) 5_666 5_666 ?
Si3 N3 Y1 93.64(4) . . ?
Si3 N3 Y1 86.36(4) 5_666 . ?
Y1 N3 Y1 180.0 5_666 . ?
Si3 N4 Si4 125.0(2) 5_566 5_566 ?
Si3 N4 Y1 110.28(16) 5_566 . ?
Si4 N4 Y1 124.01(18) 5_566 . ?
Si3 N4 Y1 81.76(13) 5_566 5_566 ?
Si4 N4 Y1 82.44(13) 5_566 5_566 ?
Y1 N4 Y1 98.42(12) . 5_566 ?
Si3 N4 Y2 115.22(16) 5_566 . ?
Si4 N4 Y2 72.71(12) 5_566 . ?
Y1 N4 Y2 92.80(11) . . ?
Y1 N4 Y2 154.92(13) 5_566 . ?
Si4 N5 Si3 118.48(13) 5_566 5_666 ?
Si4 N5 Si3 118.48(13) 5_566 2_664 ?
Si3 N5 Si3 122.9(3) 5_666 2_664 ?
Si4 N5 Y2 81.64(17) 5_566 . ?
Si3 N5 Y2 95.77(16) 5_666 . ?
Si3 N5 Y2 95.77(16) 2_664 . ?
Si4 N6 Si2 150.2(3) . . ?
Si4 N6 Y1 101.19(16) . 6_557 ?
Si2 N6 Y1 96.07(15) . 6_557 ?
Si4 N6 Y1 101.19(16) . . ?
Si2 N6 Y1 96.07(15) . . ?
Y1 N6 Y1 108.4(2) 6_557 . ?
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
Y1 N6 2.324(3) . ?
Y1 N1 2.357(3) . ?
Y1 N4 2.372(3) . ?
Y1 N2 2.389(3) . ?
Y1 N3 2.4435(4) . ?
Y1 O1 2.494(3) . ?
Y1 N4 2.821(3) 5_566 ?
Y1 Si3 2.9057(12) 5_666 ?
Y1 Si2 3.0193(12) . ?
Y1 Si3 3.0852(11) . ?
Y1 Si4 3.1091(13) . ?
Y1 Si3 3.3772(12) 5_566 ?
Y2 O1 2.347(4) 7_575 ?
Y2 N2 2.439(3) 7_575 ?
Y2 N2 2.439(3) 4_566 ?
Y2 N1 2.521(3) . ?
Y2 N1 2.521(3) 6_556 ?
Y2 N5 2.567(4) . ?
Y2 N4 2.877(3) 6_556 ?
Y2 N4 2.877(3) . ?
Y2 Si4 2.8833(15) 5_566 ?
Y2 Si2 3.0480(16) 7_575 ?
Y2 Si3 3.2610(12) 5_666 ?
Y2 Si3 3.2610(12) 2_664 ?
Si1 N2 1.723(3) 1_655 ?
Si1 N2 1.723(3) 4_666 ?
Si1 N1 1.745(3) . ?
Si1 N1 1.745(3) 4_566 ?
Si2 O1 1.653(4) 1_455 ?
Si2 N6 1.698(5) . ?
Si2 N2 1.727(3) 6_557 ?
Si2 N2 1.727(3) . ?
Si2 Y1 3.0193(12) 6_557 ?
Si2 Y2 3.0480(16) 7_576 ?
Si2 Y2 3.3904(16) 7_476 ?
Si3 N4 1.718(4) 5_566 ?
Si3 N1 1.723(3) 5_666 ?
Si3 N3 1.7350(10) . ?
Si3 N5 1.769(2) 5_666 ?
Si3 Y1 2.9057(12) 5_666 ?
Si3 Y2 3.2610(12) 5_666 ?
Si3 Y1 3.3772(12) 5_566 ?
Si4 N6 1.663(5) . ?
Si4 N4 1.731(3) 2_565 ?
Si4 N4 1.731(3) 5_566 ?
Si4 N5 1.738(5) 5_566 ?
Si4 Y2 2.8833(15) 5_566 ?
Si4 Y1 3.1091(12) 6_557 ?
O1 Si2 1.653(4) 1_655 ?
O1 Y2 2.347(4) 7_576 ?
O1 Y1 2.494(3) 6_557 ?
N1 Si3 1.723(3) 5_666 ?
N2 Si1 1.723(3) 1_455 ?
N2 Y2 2.439(3) 7_576 ?
N3 Si3 1.7350(10) 5_666 ?
N3 Y1 2.4435(4) 5_666 ?
N4 Si3 1.718(4) 5_566 ?
N4 Si4 1.731(3) 5_566 ?
N4 Y1 2.821(3) 5_566 ?
N5 Si4 1.738(5) 5_566 ?
N5 Si3 1.769(2) 5_666 ?
N5 Si3 1.769(2) 2_664 ?
N6 Y1 2.324(3) 6_557 ?
