#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/21/2102131.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_2102131
loop_
_publ_author_name
'Haile, S. M.'
'Wuensch, B. J.'
_publ_section_title
;
 X-ray diffraction study of K₃NdSi₇O₁₇: a new framework silicate
 with a linear Si---O---Si bond
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              773
_journal_page_last               779
_journal_paper_doi               10.1107/S0108768100006704
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'K3 Nd O17 Si7'
_chemical_formula_weight         730.17
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           147
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            4
_cell_length_a                   16.131(2)
_cell_length_b                   16.131(2)
_cell_length_c                   7.175(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.3
_cell_measurement_theta_min      23.6
_cell_volume                     1616.9(5)
_computing_cell_refinement       'Nonius Software'
_computing_data_collection       'Nonius Software'
_computing_data_reduction        'Nonius Software'
_computing_molecular_graphics    'Atoms (Dowty, 1999)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nonius 4-circle'
_diffrn_measurement_method       '?? X-ray diffraction ??'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0276
_diffrn_reflns_av_sigmaI/netI    .0208
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2740
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        1.25
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.595
_exptl_absorpt_correction_T_max  .323
_exptl_absorpt_correction_T_min  .277
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1404
_refine_diff_density_max         .949
_refine_diff_density_min         -1.717
_refine_ls_extinction_coef       .0297(7)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.265
_refine_ls_goodness_of_fit_obs   1.277
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.277
_refine_ls_restrained_S_obs      1.277
_refine_ls_R_factor_all          .0264
_refine_ls_R_factor_obs          .0260
_refine_ls_shift/esd_max         .001
_refine_ls_shift/esd_mean        .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0257P)²+4.4536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .0710
_refine_ls_wR_factor_obs         .0702
_reflns_number_observed          2469
_reflns_number_total             2474
_reflns_observed_criterion       I>=sigma(I)
_cod_data_source_file            bs0011.cif
_cod_data_source_block           hai3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0257P)^2^+4.4536P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0257P)^2^+4.4536P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-3
_cod_database_code               2102131
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Nd1 .0000 .0000 .0000 .00926(12) Uani d S 1 Nd
Nd2 -.5000 -.5000 .0000 .00952(11) Uani d S 1 Nd
Si1 .6667 .3333 .4247(2) .0096(3) Uani d S 1 Si
Si2 -.71320(6) -.61966(6) -.69845(12) .0092(2) Uani d . 1 Si
Si3 -.69315(6) -.52568(6) -.32686(12) .0094(2) Uani d . 1 Si
Si4 .6667 .3333 .8654(2) .0095(3) Uani d S 1 Si
Si5 -.84320(6) -.83555(6) .37820(12) .0091(2) Uani d . 1 Si
Si6 -.46020(6) -.25155(6) -.97903(12) .0096(2) Uani d . 1 Si
K1 -.53819(6) -.63419(7) -.46846(11) .0248(2) Uani d . 1 K
K2 -.76102(7) -.75708(7) -1.12460(14) .0300(2) Uani d . 1 K
O1 -.7815(2) -.6254(2) -.8735(3) .0138(5) Uani d . 1 O
O2 -.8184(2) -.8893(2) -.4567(3) .0149(5) Uani d . 1 O
O3 -.7477(2) -.7296(2) -.6374(3) .0146(5) Uani d . 1 O
O4 -.7720(2) -.3628(2) -.3536(4) .0165(5) Uani d . 1 O
O5 -.7888(2) -.5590(2) -1.2006(3) .0140(5) Uani d . 1 O
O6 -.9802(2) -.8692(2) -1.1837(3) .0164(5) Uani d . 1 O
O7 -.6217(2) -.5550(2) -1.2425(3) .0167(5) Uani d . 1 O
O8 -.4585(2) -.3436(2) -.9172(4) .0186(5) Uani d . 1 O
O9 -.7409(2) -.5710(2) -.5283(3) .0157(5) Uani d . 1 O
O10 -.3971(2) -.4366(2) -1.2560(3) .0157(5) Uani d . 1 O
O11 -.5614(2) -.2550(2) -.9349(4) .0179(5) Uani d . 1 O
O12 .3333 .6667 .3548(6) .0345(13) Uani d S 1 O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K .2009 .2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O6 Nd1 O6 4_444 1_666 180.0
O6 Nd1 O6 4_444 6_564 92.08(8)
O6 Nd1 O6 1_666 6_564 87.92(8)
O6 Nd1 O6 4_444 2_456 87.92(8)
O6 Nd1 O6 1_666 2_456 92.08(8)
O6 Nd1 O6 6_564 2_456 87.92(8)
O6 Nd1 O6 4_444 3_546 87.92(8)
O6 Nd1 O6 1_666 3_546 92.08(8)
O6 Nd1 O6 6_564 3_546 180.0
O6 Nd1 O6 2_456 3_546 92.08(8)
O6 Nd1 O6 4_444 5_654 92.08(8)
O6 Nd1 O6 1_666 5_654 87.92(8)
O6 Nd1 O6 6_564 5_654 92.08(8)
O6 Nd1 O6 2_456 5_654 180.0
O6 Nd1 O6 3_546 5_654 87.92(8)
O6 Nd1 K2 4_444 6_564 132.51(6)
O6 Nd1 K2 1_666 6_564 47.49(6)
O6 Nd1 K2 6_564 6_564 50.73(6)
O6 Nd1 K2 2_456 6_564 114.62(6)
O6 Nd1 K2 3_546 6_564 129.27(6)
O6 Nd1 K2 5_654 6_564 65.38(6)
O6 Nd1 K2 4_444 5_654 65.38(6)
O6 Nd1 K2 1_666 5_654 114.62(6)
O6 Nd1 K2 6_564 5_654 132.51(6)
O6 Nd1 K2 2_456 5_654 129.27(6)
O6 Nd1 K2 3_546 5_654 47.49(6)
O6 Nd1 K2 5_654 5_654 50.73(6)
K2 Nd1 K2 6_564 5_654 115.129(11)
O6 Nd1 K2 4_444 4_444 50.73(6)
O6 Nd1 K2 1_666 4_444 129.27(6)
O6 Nd1 K2 6_564 4_444 65.38(6)
O6 Nd1 K2 2_456 4_444 47.49(6)
O6 Nd1 K2 3_546 4_444 114.62(6)
O6 Nd1 K2 5_654 4_444 132.51(6)
K2 Nd1 K2 6_564 4_444 115.129(11)
K2 Nd1 K2 5_654 4_444 115.128(11)
O6 Nd1 K2 4_444 1_666 129.27(6)
O6 Nd1 K2 1_666 1_666 50.73(6)
O6 Nd1 K2 6_564 1_666 114.62(6)
O6 Nd1 K2 2_456 1_666 132.51(6)
O6 Nd1 K2 3_546 1_666 65.38(6)
O6 Nd1 K2 5_654 1_666 47.49(6)
K2 Nd1 K2 6_564 1_666 64.871(11)
K2 Nd1 K2 5_654 1_666 64.872(11)
K2 Nd1 K2 4_444 1_666 180.0
O6 Nd1 K2 4_444 2_456 114.62(6)
O6 Nd1 K2 1_666 2_456 65.38(6)
O6 Nd1 K2 6_564 2_456 47.49(6)
O6 Nd1 K2 2_456 2_456 50.73(6)
O6 Nd1 K2 3_546 2_456 132.51(6)
O6 Nd1 K2 5_654 2_456 129.27(6)
K2 Nd1 K2 6_564 2_456 64.872(10)
K2 Nd1 K2 5_654 2_456 180.0
K2 Nd1 K2 4_444 2_456 64.871(10)
K2 Nd1 K2 1_666 2_456 115.130(11)
O6 Nd1 K2 4_444 3_546 47.49(6)
O6 Nd1 K2 1_666 3_546 132.51(6)
O6 Nd1 K2 6_564 3_546 129.27(6)
O6 Nd1 K2 2_456 3_546 65.38(6)
O6 Nd1 K2 3_546 3_546 50.73(6)
O6 Nd1 K2 5_654 3_546 114.62(6)
K2 Nd1 K2 6_564 3_546 180.0
K2 Nd1 K2 5_654 3_546 64.871(11)
K2 Nd1 K2 4_444 3_546 64.871(11)
K2 Nd1 K2 1_666 3_546 115.129(11)
K2 Nd1 K2 2_456 3_546 115.128(11)
O10 Nd2 O10 4_444 1_556 180.0
O10 Nd2 O8 4_444 4_444 88.29(9)
O10 Nd2 O8 1_556 4_444 91.71(9)
O10 Nd2 O8 4_444 1_556 91.71(9)
O10 Nd2 O8 1_556 1_556 88.29(9)
O8 Nd2 O8 4_444 1_556 180.0
O10 Nd2 O7 4_444 4_444 82.23(9)
O10 Nd2 O7 1_556 4_444 97.77(9)
O8 Nd2 O7 4_444 4_444 108.52(8)
O8 Nd2 O7 1_556 4_444 71.48(8)
O10 Nd2 O7 4_444 1_556 97.77(9)
O10 Nd2 O7 1_556 1_556 82.23(9)
O8 Nd2 O7 4_444 1_556 71.48(8)
O8 Nd2 O7 1_556 1_556 108.52(8)
O7 Nd2 O7 4_444 1_556 180.0
O10 Nd2 K1 4_444 . 123.82(6)
O10 Nd2 K1 1_556 . 56.18(6)
O8 Nd2 K1 4_444 . 45.42(6)
O8 Nd2 K1 1_556 . 134.58(6)
O7 Nd2 K1 4_444 . 134.19(6)
O7 Nd2 K1 1_556 . 45.81(6)
O10 Nd2 K1 4_444 4_445 56.18(6)
O10 Nd2 K1 1_556 4_445 123.81(6)
O8 Nd2 K1 4_444 4_445 134.58(6)
O8 Nd2 K1 1_556 4_445 45.42(6)
O7 Nd2 K1 4_444 4_445 45.81(6)
O7 Nd2 K1 1_556 4_445 134.19(6)
K1 Nd2 K1 . 4_445 180.0
O10 Nd2 K2 4_444 1_556 66.47(6)
O10 Nd2 K2 1_556 1_556 113.53(6)
O8 Nd2 K2 4_444 1_556 44.69(7)
O8 Nd2 K2 1_556 1_556 135.31(7)
O7 Nd2 K2 4_444 1_556 136.61(6)
O7 Nd2 K2 1_556 1_556 43.39(6)
K1 Nd2 K2 . 1_556 58.16(2)
K1 Nd2 K2 4_445 1_556 121.84(2)
O10 Nd2 K2 4_444 4_444 113.53(6)
O10 Nd2 K2 1_556 4_444 66.47(6)
O8 Nd2 K2 4_444 4_444 135.31(7)
O8 Nd2 K2 1_556 4_444 44.69(7)
O7 Nd2 K2 4_444 4_444 43.39(6)
O7 Nd2 K2 1_556 4_444 136.61(6)
K1 Nd2 K2 . 4_444 121.84(2)
K1 Nd2 K2 4_445 4_444 58.16(2)
K2 Nd2 K2 1_556 4_444 180.0
O10 Nd2 K1 4_444 1_556 35.66(6)
O10 Nd2 K1 1_556 1_556 144.34(6)
O8 Nd2 K1 4_444 1_556 77.83(6)
O8 Nd2 K1 1_556 1_556 102.16(6)
O7 Nd2 K1 4_444 1_556 55.44(6)
O7 Nd2 K1 1_556 1_556 124.56(6)
K1 Nd2 K1 . 1_556 123.24(3)
K1 Nd2 K1 4_445 1_556 56.76(3)
K2 Nd2 K1 1_556 1_556 82.68(2)
K2 Nd2 K1 4_444 1_556 97.32(2)
O10 Nd2 K1 4_444 4_444 144.34(6)
O10 Nd2 K1 1_556 4_444 35.66(6)
O8 Nd2 K1 4_444 4_444 102.17(6)
O8 Nd2 K1 1_556 4_444 77.84(6)
O7 Nd2 K1 4_444 4_444 124.56(6)
O7 Nd2 K1 1_556 4_444 55.44(6)
K1 Nd2 K1 . 4_444 56.76(3)
K1 Nd2 K1 4_445 4_444 123.24(3)
K2 Nd2 K1 1_556 4_444 97.32(2)
K2 Nd2 K1 4_444 4_444 82.68(2)
K1 Nd2 K1 1_556 4_444 180.0
O12 Si1 O4 4_666 4 108.57(11)
O12 Si1 O4 4_666 6_665 108.56(11)
O4 Si1 O4 4 6_665 110.41(10)
O12 Si1 O4 4_666 5_655 108.55(11)
O4 Si1 O4 4 5_655 110.35(10)
O4 Si1 O4 6_665 5_655 110.33(10)
O12 Si1 K1 4_666 2_556 77.96(3)
O4 Si1 K1 4 2_556 87.34(9)
O4 Si1 K1 6_665 2_556 47.66(9)
O4 Si1 K1 5_655 2_556 156.91(9)
O12 Si1 K1 4_666 3_656 77.96(3)
O4 Si1 K1 4 3_656 47.63(9)
O4 Si1 K1 6_665 3_656 156.97(9)
O4 Si1 K1 5_655 3_656 87.30(9)
K1 Si1 K1 2_556 3_656 115.79(2)
O12 Si1 K1 4_666 1_666 77.96(3)
O4 Si1 K1 4 1_666 156.89(9)
O4 Si1 K1 6_665 1_666 87.28(9)
O4 Si1 K1 5_655 1_666 47.62(9)
K1 Si1 K1 2_556 1_666 115.77(2)
K1 Si1 K1 3_656 1_666 115.75(2)
O10 Si2 O9 4_443 . 112.36(13)
O10 Si2 O3 4_443 . 110.83(13)
O9 Si2 O3 . . 107.21(13)
O10 Si2 O1 4_443 . 113.97(13)
O9 Si2 O1 . . 105.20(13)
O3 Si2 O1 . . 106.83(12)
O10 Si2 K1 4_443 . 53.05(9)
O9 Si2 K1 . . 96.17(9)
O3 Si2 K1 . . 68.67(9)
O1 Si2 K1 . . 158.42(9)
O10 Si2 K2 4_443 . 90.63(10)
O9 Si2 K2 . . 154.18(9)
O3 Si2 K2 . . 73.08(9)
O1 Si2 K2 . . 52.35(9)
K1 Si2 K2 . . 107.41(3)
O7 Si3 O9 1_556 . 117.44(13)
O7 Si3 O5 1_556 1_556 113.75(13)
O9 Si3 O5 . 1_556 100.82(12)
O7 Si3 O4 1_556 2_455 108.92(14)
O9 Si3 O4 . 2_455 106.03(14)
O5 Si3 O4 1_556 2_455 109.32(13)
O7 Si3 K1 1_556 6_454 162.11(10)
O9 Si3 K1 . 6_454 52.71(9)
O5 Si3 K1 1_556 6_454 59.93(9)
O4 Si3 K1 2_455 6_454 88.84(9)
O7 Si3 K1 1_556 4_444 73.76(10)
O9 Si3 K1 . 4_444 92.72(9)
O5 Si3 K1 1_556 4_444 158.16(9)
O4 Si3 K1 2_455 4_444 49.86(9)
K1 Si3 K1 6_454 4_444 118.73(4)
O7 Si3 K2 1_556 1_556 54.89(10)
O9 Si3 K2 . 1_556 93.53(10)
O5 Si3 K2 1_556 1_556 71.90(9)
O4 Si3 K2 2_455 1_556 159.51(10)
K1 Si3 K2 6_454 1_556 108.27(3)
K1 Si3 K2 4_444 1_556 124.66(3)
O7 Si3 K1 1_556 . 38.79(9)
O9 Si3 K1 . . 80.22(9)
O5 Si3 K1 1_556 . 136.16(9)
O4 Si3 K1 2_455 . 112.41(9)
K1 Si3 K1 6_454 . 132.54(3)
K1 Si3 K1 4_444 . 62.81(3)
K2 Si3 K1 1_556 . 64.32(3)
O12 Si4 O11 4_666 5_655 108.08(11)
O12 Si4 O11 4_666 4 108.06(11)
O11 Si4 O11 5_655 4 110.87(10)
O12 Si4 O11 4_666 6_665 108.06(11)
O11 Si4 O11 5_655 6_665 110.85(10)
O11 Si4 O11 4 6_665 110.79(10)
O6 Si5 O2 5_544 1_556 114.78(13)
O6 Si5 O3 5_544 1_556 111.30(13)
O2 Si5 O3 1_556 1_556 104.61(13)
O6 Si5 O2 5_544 6_455 112.23(13)
O2 Si5 O2 1_556 6_455 107.00(11)
O3 Si5 O2 1_556 6_455 106.28(13)
O6 Si5 K2 5_544 1_557 164.49(10)
O2 Si5 K2 1_556 1_557 50.02(9)
O3 Si5 K2 1_556 1_557 74.12(9)
O2 Si5 K2 6_455 1_557 78.74(9)
O6 Si5 K2 5_544 6_454 73.43(10)
O2 Si5 K2 1_556 6_454 153.95(10)
O3 Si5 K2 1_556 6_454 94.08(9)
O2 Si5 K2 6_455 6_454 49.30(9)
K2 Si5 K2 1_557 6_454 121.43(3)
O6 Si5 K2 5_544 1_556 45.86(10)
O2 Si5 K2 1_556 1_556 136.25(10)
O3 Si5 K2 1_556 1_556 66.48(9)
O2 Si5 K2 6_455 1_556 116.67(9)
K2 Si5 K2 1_557 1_556 140.25(4)
K2 Si5 K2 6_454 1_556 67.98(2)
O8 Si6 O5 . 2_455 113.01(13)
O8 Si6 O11 . . 113.82(14)
O5 Si6 O11 2_455 . 106.04(14)
O8 Si6 O1 . 2_455 110.65(14)
O5 Si6 O1 2_455 2_455 105.49(13)
O11 Si6 O1 . 2_455 107.30(13)
O8 Si6 K2 . 4_443 59.17(10)
O5 Si6 K2 2_455 4_443 96.66(9)
O11 Si6 K2 . 4_443 156.84(10)
O1 Si6 K2 2_455 4_443 61.05(9)
O8 Si6 K1 . 4_444 43.85(10)
O5 Si6 K1 2_455 4_444 155.66(9)
O11 Si6 K1 . 4_444 93.26(10)
O1 Si6 K1 2_455 4_444 82.00(9)
K2 Si6 K1 4_443 4_444 66.25(3)
O8 Si6 K2 . 2_455 127.81(11)
O5 Si6 K2 2_455 2_455 62.71(9)
O11 Si6 K2 . 2_455 117.07(9)
O1 Si6 K2 2_455 2_455 42.79(9)
K2 Si6 K2 4_443 2_455 69.46(3)
K1 Si6 K2 4_444 2_455 121.33(3)
O10 K1 O8 4_443 4_444 141.62(8)
O10 K1 O7 4_443 1_556 81.74(8)
O8 K1 O7 4_444 1_556 60.01(7)
O10 K1 O4 4_443 5_544 96.47(8)
O8 K1 O4 4_444 5_544 115.36(8)
O7 K1 O4 1_556 5_544 142.51(8)
O10 K1 O9 4_443 5_544 122.90(8)
O8 K1 O9 4_444 5_544 83.55(7)
O7 K1 O9 1_556 5_544 129.02(8)
O4 K1 O9 5_544 5_544 83.30(7)
O10 K1 O5 4_443 5_543 79.35(7)
O8 K1 O5 4_444 5_543 132.33(7)
O7 K1 O5 1_556 5_543 148.48(7)
O4 K1 O5 5_544 5_543 65.11(7)
O9 K1 O5 5_544 5_543 48.79(6)
O10 K1 O3 4_443 . 52.44(7)
O8 K1 O3 4_444 . 111.71(8)
O7 K1 O3 1_556 . 78.63(7)
O4 K1 O3 5_544 . 129.30(8)
O9 K1 O3 5_544 . 84.25(7)
O5 K1 O3 5_543 . 69.86(6)
O10 K1 O10 4_443 1_556 99.02(7)
O8 K1 O10 4_444 1_556 67.45(7)
O7 K1 O10 1_556 1_556 62.42(7)
O4 K1 O10 5_544 1_556 81.14(7)
O9 K1 O10 5_544 1_556 136.60(7)
O5 K1 O10 5_543 1_556 145.61(7)
O3 K1 O10 . 1_556 135.57(7)
O10 K1 Si2 4_443 . 27.38(5)
O8 K1 Si2 4_444 . 122.08(6)
O7 K1 Si2 1_556 . 68.93(6)
O4 K1 Si2 5_544 . 121.67(6)
O9 K1 Si2 5_544 . 111.37(6)
O5 K1 Si2 5_543 . 82.98(5)
O3 K1 Si2 . . 28.61(4)
O10 K1 Si2 1_556 . 111.31(5)
O10 K1 Si3 4_443 5_544 106.11(6)
O8 K1 Si3 4_444 5_544 107.17(6)
O7 K1 Si3 1_556 5_544 153.34(6)
O4 K1 Si3 5_544 5_544 63.15(5)
O9 K1 Si3 5_544 5_544 26.24(5)
O5 K1 Si3 5_543 5_544 26.76(4)
O3 K1 Si3 . 5_544 86.15(5)
O10 K1 Si3 1_556 5_544 137.91(5)
Si2 K1 Si3 . 5_544 106.34(3)
O10 K1 Si3 4_443 4_444 83.23(5)
O8 K1 Si3 4_444 4_444 116.15(6)
O7 K1 Si3 1_556 4_444 118.09(6)
O4 K1 Si3 5_544 4_444 26.04(5)
O9 K1 Si3 5_544 4_444 109.32(6)
O5 K1 Si3 5_543 4_444 84.43(5)
O3 K1 Si3 . 4_444 131.25(5)
O10 K1 Si3 1_556 4_444 61.40(5)
Si2 K1 Si3 . 4_444 110.61(3)
Si3 K1 Si3 5_544 4_444 88.39(3)
O10 K1 Si1 4_443 1_444 117.79(6)
O8 K1 Si1 4_444 1_444 98.59(6)
O7 K1 Si1 1_556 1_444 149.33(6)
O4 K1 Si1 5_544 1_444 24.50(5)
O9 K1 Si1 5_544 1_444 62.31(5)
O5 K1 Si1 5_543 1_444 62.08(5)
O3 K1 Si1 . 1_444 131.83(6)
O10 K1 Si1 1_556 1_444 89.95(5)
Si2 K1 Si1 . 1_444 138.60(4)
Si3 K1 Si1 5_544 1_444 48.50(2)
Si3 K1 Si1 4_444 1_444 48.49(2)
O1 K2 O6 . 5_543 79.73(7)
O1 K2 O7 . . 71.40(7)
O6 K2 O7 5_543 . 147.26(7)
O1 K2 O2 . 1_554 153.23(7)
O6 K2 O2 5_543 1_554 102.71(7)
O7 K2 O2 . 1_554 110.03(7)
O1 K2 O8 . 4_443 94.26(7)
O6 K2 O8 5_543 4_443 114.50(7)
O7 K2 O8 . 4_443 54.45(6)
O2 K2 O8 1_554 4_443 108.33(7)
O1 K2 O6 . . 89.88(7)
O6 K2 O6 5_543 . 65.88(9)
O7 K2 O6 . . 127.64(7)
O2 K2 O6 1_554 . 67.76(7)
O8 K2 O6 4_443 . 175.84(7)
O1 K2 O1 . 5_543 133.20(5)
O6 K2 O1 5_543 5_543 88.53(7)
O7 K2 O1 . 5_543 99.95(7)
O2 K2 O1 1_554 5_543 73.53(6)
O8 K2 O1 4_443 5_543 50.30(6)
O6 K2 O1 . 5_543 126.03(7)
O1 K2 Si6 . 4_443 108.41(6)
O6 K2 Si6 5_543 4_443 95.20(6)
O7 K2 Si6 . 4_443 80.01(5)
O2 K2 Si6 1_554 4_443 97.98(5)
O8 K2 Si6 4_443 4_443 25.78(5)
O6 K2 Si6 . 4_443 151.38(6)
O1 K2 Si6 5_543 4_443 27.45(4)
O1 K2 Si2 . . 26.37(5)
O6 K2 Si2 5_543 . 71.20(5)
O7 K2 Si2 . . 76.09(5)
O2 K2 Si2 1_554 . 173.76(6)
O8 K2 Si2 4_443 . 76.04(5)
O6 K2 Si2 . . 107.74(5)
O1 K2 Si2 5_543 . 107.12(5)
Si6 K2 Si2 4_443 . 84.14(3)
O1 K2 Si3 . 1_554 65.47(5)
O6 K2 Si3 5_543 1_554 143.65(6)
O7 K2 Si3 . 1_554 25.23(5)
O2 K2 Si3 1_554 1_554 103.87(5)
O8 K2 Si3 4_443 1_554 79.68(5)
O6 K2 Si3 . 1_554 102.44(5)
O1 K2 Si3 5_543 1_554 122.65(5)
Si6 K2 Si3 4_443 1_554 105.13(3)
Si2 K2 Si3 . 1_554 81.12(3)
O1 K2 Si5 . 1_553 132.31(6)
O6 K2 Si5 5_543 1_553 118.75(6)
O7 K2 Si5 . 1_553 92.53(5)
O2 K2 Si5 1_554 1_553 24.47(5)
O8 K2 Si5 4_443 1_553 112.62(6)
O6 K2 Si5 . 1_553 64.49(5)
O1 K2 Si5 5_543 1_553 93.00(5)
Si6 K2 Si5 4_443 1_553 112.54(3)
Si2 K2 Si5 . 1_553 158.19(4)
Si3 K2 Si5 1_554 1_553 80.94(3)
O1 K2 Si5 . 5_544 156.98(6)
O6 K2 Si5 5_543 5_544 82.09(5)
O7 K2 Si5 . 5_544 129.46(6)
O2 K2 Si5 1_554 5_544 24.36(5)
O8 K2 Si5 4_443 5_544 106.11(5)
O6 K2 Si5 . 5_544 69.75(5)
O1 K2 Si5 5_543 5_544 59.80(5)
Si6 K2 Si5 4_443 5_544 87.13(3)
Si2 K2 Si5 . 5_544 150.92(3)
Si3 K2 Si5 1_554 5_544 127.95(4)
Si5 K2 Si5 1_553 5_544 48.49(2)
Si2 O1 Si6 . 3_445 130.26(15)
Si2 O1 K2 . . 101.28(11)
Si6 O1 K2 3_445 . 114.69(11)
Si2 O1 K2 . 6_453 122.98(12)
Si6 O1 K2 3_445 6_453 91.51(10)
K2 O1 K2 . 6_453 89.76(7)
Si5 O2 Si5 1_554 5_545 145.6(2)
Si5 O2 K2 1_554 1_556 105.50(11)
Si5 O2 K2 5_545 1_556 106.34(11)
Si2 O3 Si5 . 1_554 141.8(2)
Si2 O3 K1 . . 82.72(9)
Si5 O3 K1 1_554 . 134.37(12)
Si1 O4 Si3 4 3_445 135.2(2)
Si1 O4 K1 4 6_454 107.89(12)
Si3 O4 K1 3_445 6_454 104.10(11)
Si6 O5 Si3 3_445 1_554 126.19(15)
Si6 O5 K1 3_445 6_453 130.39(12)
Si3 O5 K1 1_554 6_453 93.31(10)
Si5 O6 Nd1 6_454 1_444 142.65(14)
Si5 O6 K2 6_454 6_453 111.57(12)
Nd1 O6 K2 1_444 6_453 96.30(8)
Si5 O6 K2 6_454 . 110.84(12)
Nd1 O6 K2 1_444 . 92.86(8)
K2 O6 K2 6_453 . 89.99(7)
Si3 O7 Nd2 1_554 1_554 138.23(14)
Si3 O7 K1 1_554 1_554 120.60(13)
Nd2 O7 K1 1_554 1_554 95.49(8)
Si3 O7 K2 1_554 . 99.88(12)
Nd2 O7 K2 1_554 . 102.88(8)
K1 O7 K2 1_554 . 86.40(7)
Si6 O8 Nd2 . 1_554 145.2(2)
Si6 O8 K1 . 4_444 113.30(13)
Nd2 O8 K1 1_554 4_444 97.85(8)
Si6 O8 K2 . 4_443 95.05(12)
Nd2 O8 K2 1_554 4_443 103.08(9)
K1 O8 K2 4_444 4_443 85.07(7)
Si3 O9 Si2 . . 134.3(2)
Si3 O9 K1 . 6_454 101.05(11)
Si2 O9 K1 . 6_454 124.60(12)
Si2 O10 Nd2 4_443 1_554 139.87(14)
Si2 O10 K1 4_443 4_443 99.57(11)
Nd2 O10 K1 1_554 4_443 114.46(9)
Si2 O10 K1 4_443 1_554 120.45(12)
Nd2 O10 K1 1_554 1_554 86.75(7)
K1 O10 K1 4_443 1_554 80.98(7)
Si4 O11 Si6 4 . 136.9(2)
Si4 O12 Si1 4_666 4_666 179.9970(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Nd1 O6 4_444 2.371(2)
Nd1 O6 1_666 2.371(2)
Nd1 O6 6_564 2.371(2)
Nd1 O6 2_456 2.371(2)
Nd1 O6 3_546 2.371(2)
Nd1 O6 5_654 2.371(2)
Nd1 K2 6_564 3.9886(11)
Nd1 K2 5_654 3.9887(11)
Nd1 K2 4_444 3.9887(11)
Nd1 K2 1_666 3.9887(11)
Nd1 K2 2_456 3.9887(11)
Nd1 K2 3_546 3.9887(11)
Nd2 O10 4_444 2.340(2)
Nd2 O10 1_556 2.340(2)
Nd2 O8 4_444 2.340(2)
Nd2 O8 1_556 2.340(2)
Nd2 O7 4_444 2.435(2)
Nd2 O7 1_556 2.435(2)
Nd2 K1 . 3.8766(12)
Nd2 K1 4_445 3.8767(12)
Nd2 K2 1_556 4.2738(11)
Nd2 K2 4_444 4.2738(11)
Nd2 K1 1_556 4.2750(12)
Nd2 K1 4_444 4.2750(12)
Si1 O12 4_666 1.583(5)
Si1 O4 4 1.601(2)
Si1 O4 6_665 1.601(2)
Si1 O4 5_655 1.602(2)
Si1 K1 2_556 3.6754(10)
Si1 K1 3_656 3.6760(10)
Si1 K1 1_666 3.6769(10)
Si2 O10 4_443 1.576(2)
Si2 O9 . 1.630(2)
Si2 O3 . 1.631(2)
Si2 O1 . 1.642(2)
Si2 K1 . 3.3779(13)
Si2 K2 . 3.6260(14)
Si3 O7 1_556 1.569(2)
Si3 O9 . 1.629(2)
Si3 O5 1_556 1.631(2)
Si3 O4 2_455 1.639(3)
Si3 K1 6_454 3.6166(13)
Si3 K1 4_444 3.6208(13)
Si3 K2 1_556 3.6265(14)
Si3 K1 . 3.8367(12)
Si4 O12 4_666 1.579(5)
Si4 O11 5_655 1.607(2)
Si4 O11 4 1.608(2)
Si4 O11 6_665 1.608(2)
Si5 O6 5_544 1.582(2)
Si5 O2 1_556 1.632(2)
Si5 O3 1_556 1.635(2)
Si5 O2 6_455 1.642(2)
Si5 K2 1_557 3.796(2)
Si5 K2 6_454 3.8205(13)
Si5 K2 1_556 3.833(2)
Si6 O8 . 1.563(2)
Si6 O5 2_455 1.624(2)
Si6 O11 . 1.636(3)
Si6 O1 2_455 1.651(2)
Si6 K2 4_443 3.5792(14)
Si6 K1 4_444 3.6956(14)
Si6 K2 2_455 3.9153(13)
K1 O10 4_443 2.738(3)
K1 O8 4_444 2.787(3)
K1 O7 1_556 2.793(3)
K1 O4 5_544 2.854(3)
K1 O9 5_544 2.932(3)
K1 O5 5_543 3.135(2)
K1 O3 . 3.172(2)
K1 O10 1_556 3.226(3)
K1 Si3 5_544 3.6165(13)
K1 Si3 4_444 3.6208(13)
K1 Si1 1_444 3.6769(10)
K2 O1 . 2.927(3)
K2 O6 5_543 2.958(3)
K2 O7 . 3.011(3)
K2 O2 1_554 3.018(3)
K2 O8 4_443 3.085(3)
K2 O6 . 3.092(3)
K2 O1 5_543 3.133(3)
K2 Si6 4_443 3.5793(14)
K2 Si3 1_554 3.6264(14)
K2 Si5 1_553 3.796(2)
K2 Si5 5_544 3.8205(13)
O1 Si6 3_445 1.650(2)
O1 K2 6_453 3.133(3)
O2 Si5 1_554 1.632(2)
O2 Si5 5_545 1.642(2)
O2 K2 1_556 3.018(3)
O3 Si5 1_554 1.635(2)
O4 Si1 4 1.601(2)
O4 Si3 3_445 1.639(3)
O4 K1 6_454 2.854(3)
O5 Si6 3_445 1.624(2)
O5 Si3 1_554 1.631(2)
O5 K1 6_453 3.135(2)
O6 Si5 6_454 1.582(2)
O6 Nd1 1_444 2.371(2)
O6 K2 6_453 2.958(3)
O7 Si3 1_554 1.569(2)
O7 Nd2 1_554 2.435(2)
O7 K1 1_554 2.793(3)
O8 Nd2 1_554 2.340(2)
O8 K1 4_444 2.787(3)
O8 K2 4_443 3.085(3)
O9 K1 6_454 2.932(3)
O10 Si2 4_443 1.576(2)
O10 Nd2 1_554 2.340(2)
O10 K1 4_443 2.738(3)
O10 K1 1_554 3.226(3)
O11 Si4 4 1.608(2)
O12 Si4 4_666 1.579(5)
O12 Si1 4_666 1.583(5)
