#------------------------------------------------------------------------------
#$Date: 2017-11-18 01:02:20 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203300 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548105.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_1548105
loop_
_publ_author_name
'Rashchenko, Sergey V.'
'Seryotkin, Yurii V.'
'Bakakin, Vladimir V.'
_publ_section_title
;
 An X-ray single crystal study of alkaline cations influence on laumontite
 hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              126
_journal_paper_doi               10.1016/j.micromeso.2012.04.029
_journal_volume                  159
_journal_year                    2012
_chemical_formula_sum
'Al7.93 Ca2.73 H31.14 K1.03 Na1.44 O63.57 Si16.07'
_chemical_formula_weight         1896.65
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 110.60(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.743(4)
_cell_length_b                   13.098(3)
_cell_length_c                   7.4781(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1351.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_pressure         1130(50)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.443
_diffrn_measured_fraction_theta_max 0.443
_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  0.0941
_diffrn_reflns_av_sigmaI/netI    0.0812
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6234
_diffrn_reflns_theta_full        31.01
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    1.009
_exptl_crystal_density_diffrn    2.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             958
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0421
_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)+(0.0544P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0988
_reflns_number_gt                670
_reflns_number_total             996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg_113_lau_abs_out.cif
_cod_data_source_block           shelxl
_cod_original_formula_sum
'H31.14 Al7.93 Ca2.73 K1.03 Na1.44 O63.57 Si16.07'
_cod_database_code               1548105
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Ca1 Ca 0.23662(12) 0.5000 0.76731(18) 0.0197(4) Uani 0.68 2 d SP . .
Na1 Na 0.23662(12) 0.5000 0.76731(18) 0.0197(4) Uani 0.32 2 d SP . .
K2 K 0.5000 0.1769(6) 0.5000 0.0198(18) Uani 0.26 2 d SP . .
Na2 Na 0.5000 0.1769(6) 0.5000 0.0198(18) Uani 0.04 2 d SP . .
Si1 Si 0.23591(9) 0.11720(9) 0.64976(14) 0.0114(3) Uani 1 1 d . . .
Si2 Si 0.57584(9) 0.38388(10) 0.81660(14) 0.0119(3) Uani 1 1 d . . .
Si3 Si 0.36796(10) 0.30809(10) 0.76796(15) 0.0122(3) Uani 0.01 1 d P . .
Al3 Al 0.36796(10) 0.30809(10) 0.76796(15) 0.0122(3) Uani 0.99 1 d P . .
O1 O 0.2583(3) 0.0000 0.7232(5) 0.0144(10) Uani 1 2 d S . .
O2 O 0.2867(2) 0.3764(2) 0.5778(3) 0.0162(7) Uani 1 1 d . . .
O3 O 0.3594(2) 0.3791(2) 0.9591(3) 0.0183(8) Uani 1 1 d . . .
O4 O 0.6410(2) 0.3448(2) 0.6933(3) 0.0173(8) Uani 1 1 d . . .
O5 O 0.3294(2) 0.1836(2) 0.7699(3) 0.0152(8) Uani 1 1 d . . .
O6 O 0.5412(3) 0.5000 0.7557(5) 0.0159(10) Uani 1 2 d S . .
O7 O 0.4853(2) 0.3083(2) 0.7671(3) 0.0141(7) Uani 1 1 d . . .
W1 O 0.1355(4) 0.3869(4) 0.8552(5) 0.065(2) Uani 0.894(8) 1 d P . .
W2 O 0.0974(5) 0.5000 0.4715(8) 0.039(2) Uani 0.806(12) 2 d SP . .
W3 O 0.0000 0.4668(17) 0.0000 0.143(10) Uiso 0.490(13) 2 d SP . .
W4 O 0.019(2) 0.3348(14) 0.509(5) 0.077(9) Uiso 0.320(8) 1 d P . .
W5 O 0.050(4) 0.5000 0.289(7) 0.13(3) Uiso 0.168(19) 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
'$h' '$h2O' 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
W1 Ca1 W1 78.0(3) . 6_565
W1 Ca1 O2 95.50(15) . .
W1 Ca1 O2 159.06(15) 6_565 .
W1 Ca1 O2 159.06(15) . 6_565
W1 Ca1 O2 95.50(15) 6_565 6_565
O2 Ca1 O2 83.52(14) . 6_565
W1 Ca1 W2 80.75(16) . .
W1 Ca1 W2 80.75(16) 6_565 .
O2 Ca1 W2 78.56(13) . .
O2 Ca1 W2 78.56(13) 6_565 .
W1 Ca1 O3 130.75(12) . 6_565
W1 Ca1 O3 80.80(15) 6_565 6_565
O2 Ca1 O3 117.27(12) . 6_565
O2 Ca1 O3 66.30(9) 6_565 6_565
W2 Ca1 O3 138.17(8) . 6_565
W1 Ca1 O3 80.80(15) . .
W1 Ca1 O3 130.75(12) 6_565 .
O2 Ca1 O3 66.30(9) . .
O2 Ca1 O3 117.27(12) 6_565 .
W2 Ca1 O3 138.17(8) . .
O3 Ca1 O3 80.44(15) 6_565 .
W1 Ca1 Al3 160.85(12) . 6_565
W1 Ca1 Al3 86.98(14) 6_565 6_565
O2 Ca1 Al3 102.62(9) . 6_565
O2 Ca1 Al3 33.16(7) 6_565 6_565
W2 Ca1 Al3 108.71(9) . 6_565
O3 Ca1 Al3 33.16(6) 6_565 6_565
O3 Ca1 Al3 100.74(9) . 6_565
W1 Ca1 Si3 160.85(12) . 6_565
W1 Ca1 Si3 86.98(14) 6_565 6_565
O2 Ca1 Si3 102.62(9) . 6_565
O2 Ca1 Si3 33.16(7) 6_565 6_565
W2 Ca1 Si3 108.71(9) . 6_565
O3 Ca1 Si3 33.16(6) 6_565 6_565
O3 Ca1 Si3 100.74(9) . 6_565
Al3 Ca1 Si3 0.00(5) 6_565 6_565
W1 Ca1 Si3 86.98(14) . .
W1 Ca1 Si3 160.85(12) 6_565 .
O2 Ca1 Si3 33.16(6) . .
O2 Ca1 Si3 102.62(9) 6_565 .
W2 Ca1 Si3 108.71(9) . .
O3 Ca1 Si3 100.74(9) 6_565 .
O3 Ca1 Si3 33.16(6) . .
Al3 Ca1 Si3 104.84(7) 6_565 .
Si3 Ca1 Si3 104.84(7) 6_565 .
W1 Ca1 Si1 104.33(11) . 7_556
W1 Ca1 Si1 141.30(11) 6_565 7_556
O2 Ca1 Si1 21.18(6) . 7_556
O2 Ca1 Si1 68.39(7) 6_565 7_556
W2 Ca1 Si1 62.04(13) . 7_556
O3 Ca1 Si1 119.59(8) 6_565 7_556
O3 Ca1 Si1 86.95(7) . 7_556
Al3 Ca1 Si1 94.82(4) 6_565 7_556
Si3 Ca1 Si1 94.82(4) 6_565 7_556
Si3 Ca1 Si1 54.04(3) . 7_556
O7 K2 O7 100.9(3) . 2_656
O7 K2 W2 107.26(13) . 7_556
O7 K2 W2 140.10(16) 2_656 7_556
O7 K2 W2 140.10(16) . 3_545
O7 K2 W2 107.26(13) 2_656 3_545
W2 K2 W2 66.7(3) 7_556 3_545
O7 K2 W1 131.93(18) . 7_556
O7 K2 W1 73.03(10) 2_656 7_556
W2 K2 W1 67.16(18) 7_556 7_556
W2 K2 W1 83.9(2) 3_545 7_556
O7 K2 W1 73.03(10) . 8
O7 K2 W1 131.93(18) 2_656 8
W2 K2 W1 83.9(2) 7_556 8
W2 K2 W1 67.16(18) 3_545 8
W1 K2 W1 145.6(4) 7_556 8
O7 K2 O4 53.39(13) . .
O7 K2 O4 70.71(17) 2_656 .
W2 K2 O4 149.18(14) 7_556 .
W2 K2 O4 110.92(14) 3_545 .
W1 K2 O4 143.5(2) 7_556 .
W1 K2 O4 68.07(14) 8 .
O7 K2 O4 70.71(17) . 2_656
O7 K2 O4 53.39(13) 2_656 2_656
W2 K2 O4 110.92(14) 7_556 2_656
W2 K2 O4 149.18(14) 3_545 2_656
W1 K2 O4 68.07(14) 7_556 2_656
W1 K2 O4 143.5(2) 8 2_656
O4 K2 O4 86.6(2) . 2_656
O7 K2 W5 165.3(10) . 3_545
O7 K2 W5 90.3(7) 2_656 3_545
W2 K2 W5 68.1(9) 7_556 3_545
W2 K2 W5 25.3(10) 3_545 3_545
W1 K2 W5 60.4(11) 7_556 3_545
W1 K2 W5 92.4(10) 8 3_545
O4 K2 W5 123.6(11) . 3_545
O4 K2 W5 124.0(10) 2_656 3_545
O7 K2 W5 90.3(7) . 7_556
O7 K2 W5 165.3(10) 2_656 7_556
W2 K2 W5 25.3(10) 7_556 7_556
W2 K2 W5 68.1(9) 3_545 7_556
W1 K2 W5 92.4(10) 7_556 7_556
W1 K2 W5 60.4(11) 8 7_556
O4 K2 W5 124.0(10) . 7_556
O4 K2 W5 123.6(11) 2_656 7_556
W5 K2 W5 80.3(15) 3_545 7_556
O7 K2 Si2 25.82(9) . .
O7 K2 Si2 85.3(2) 2_656 .
W2 K2 Si2 130.05(11) 7_556 .
W2 K2 Si2 130.23(13) 3_545 .
W1 K2 Si2 144.4(2) 7_556 .
W1 K2 Si2 69.10(12) 8 .
O4 K2 Si2 27.60(7) . .
O4 K2 Si2 76.30(17) 2_656 .
W5 K2 Si2 149.5(11) 3_545 .
W5 K2 Si2 108.5(8) 7_556 .
O7 K2 Si2 85.3(2) . 2_656
O7 K2 Si2 25.82(9) 2_656 2_656
W2 K2 Si2 130.23(13) 7_556 2_656
W2 K2 Si2 130.05(11) 3_545 2_656
W1 K2 Si2 69.10(12) 7_556 2_656
W1 K2 Si2 144.4(2) 8 2_656
O4 K2 Si2 76.30(17) . 2_656
O4 K2 Si2 27.60(7) 2_656 2_656
W5 K2 Si2 108.5(8) 3_545 2_656
W5 K2 Si2 149.5(11) 7_556 2_656
Si2 K2 Si2 79.00(16) . 2_656
O5 Si1 O2 112.21(16) . 7_556
O5 Si1 O4 110.58(17) . 8_455
O2 Si1 O4 108.81(15) 7_556 8_455
O5 Si1 O1 106.86(18) . .
O2 Si1 O1 110.28(16) 7_556 .
O4 Si1 O1 108.00(18) 8_455 .
O5 Si1 Ca1 112.11(12) . 7_556
O2 Si1 Ca1 32.90(11) 7_556 7_556
O4 Si1 Ca1 131.91(11) 8_455 7_556
O1 Si1 Ca1 79.61(12) . 7_556
O7 Si2 O3 110.96(15) . 2_657
O7 Si2 O6 111.2(2) . .
O3 Si2 O6 110.00(18) 2_657 .
O7 Si2 O4 106.56(17) . .
O3 Si2 O4 108.96(16) 2_657 .
O6 Si2 O4 109.06(18) . .
O7 Si2 K2 47.46(11) . .
O3 Si2 K2 127.05(15) 2_657 .
O6 Si2 K2 122.78(15) . .
O4 Si2 K2 59.17(11) . .
O5 Si3 O7 109.50(15) . .
O5 Si3 O3 112.12(14) . .
O7 Si3 O3 111.22(15) . .
O5 Si3 O2 110.84(16) . .
O7 Si3 O2 113.31(14) . .
O3 Si3 O2 99.60(14) . .
O5 Si3 Ca1 123.02(12) . .
O7 Si3 Ca1 127.48(12) . .
O3 Si3 Ca1 50.16(10) . .
O2 Si3 Ca1 49.47(9) . .
O5 Si3 K2 78.63(15) . .
O7 Si3 K2 43.73(11) . .
O3 Si3 K2 154.15(12) . .
O2 Si3 K2 97.97(11) . .
Ca1 Si3 K2 144.09(9) . .
Si1 O1 Si1 141.8(2) 6 .
Si1 O2 Si3 135.28(18) 7_556 .
Si1 O2 Ca1 125.92(16) 7_556 .
Si3 O2 Ca1 97.37(11) . .
Si2 O3 Si3 133.20(19) 2_657 .
Si2 O3 Ca1 128.92(15) 2_657 .
Si3 O3 Ca1 96.68(11) . .
Si1 O4 Si2 137.6(2) 8 .
Si1 O4 K2 128.61(14) 8 .
Si2 O4 K2 93.22(13) . .
Si1 O5 Si3 136.4(2) . .
Si2 O6 Si2 140.1(3) 6_565 .
Si2 O7 Si3 139.0(2) . .
Si2 O7 K2 106.73(16) . .
Si3 O7 K2 109.97(14) . .
Ca1 W1 W4 98.5(7) . .
Ca1 W1 W3 118.9(5) . 1_556
W4 W1 W3 99.6(8) . 1_556
Ca1 W1 Na2 103.36(15) . 7_556
W4 W1 Na2 4.9(7) . 7_556
W3 W1 Na2 96.3(2) 1_556 7_556
Ca1 W1 K2 103.36(15) . 7_556
W4 W1 K2 4.9(7) . 7_556
W3 W1 K2 96.3(2) 1_556 7_556
Na2 W1 K2 0.0(3) 7_556 7_556
Ca1 W1 W4 104.2(6) . 2_556
W4 W1 W4 8.5(14) . 2_556
W3 W1 W4 91.3(7) 1_556 2_556
Na2 W1 W4 5.5(6) 7_556 2_556
K2 W1 W4 5.5(6) 7_556 2_556
Ca1 W1 W5 100.2(7) . 5_566
W4 W1 W5 64.6(11) . 5_566
W3 W1 W5 42.2(10) 1_556 5_566
Na2 W1 W5 63.2(8) 7_556 5_566
K2 W1 W5 63.2(8) 7_556 5_566
W4 W1 W5 57.7(10) 2_556 5_566
Ca1 W1 W1 51.00(14) . 6_565
W4 W1 W1 105.0(5) . 6_565
W3 W1 W1 68.0(4) 1_556 6_565
Na2 W1 W1 107.19(18) 7_556 6_565
K2 W1 W1 107.19(18) 7_556 6_565
W4 W1 W1 103.4(4) 2_556 6_565
W5 W1 W1 59.9(6) 5_566 6_565
Ca1 W1 W2 50.71(14) . .
W4 W1 W2 51.3(6) . .
W3 W1 W2 105.0(3) 1_556 .
Na2 W1 W2 55.55(16) 7_556 .
K2 W1 W2 55.55(16) 7_556 .
W4 W1 W2 54.9(6) 2_556 .
W5 W1 W2 65.1(9) 5_566 .
W1 W1 W2 61.46(10) 6_565 .
Ca1 W1 W3 104.4(4) . 5_566
W4 W1 W3 102.4(7) . 5_566
W3 W1 W3 14.5(8) 1_556 5_566
Na2 W1 W3 100.1(2) 7_556 5_566
K2 W1 W3 100.1(2) 7_556 5_566
W4 W1 W3 94.7(6) 2_556 5_566
W5 W1 W3 38.9(9) 5_566 5_566
W1 W1 W3 53.4(3) 6_565 5_566
W2 W1 W3 95.5(3) . 5_566
W5 W2 Ca1 158(3) . .
W5 W2 W4 90.9(16) . .
Ca1 W2 W4 100.0(8) . .
W5 W2 W4 90.9(15) . 6_565
Ca1 W2 W4 100.0(8) . 6_565
W4 W2 W4 118.4(15) . 6_565
W5 W2 Na2 88.6(14) . 7_556
Ca1 W2 Na2 102.96(15) . 7_556
W4 W2 Na2 3.4(8) . 7_556
W4 W2 Na2 115.9(8) 6_565 7_556
W5 W2 K2 88.6(14) . 7_556
Ca1 W2 K2 102.96(15) . 7_556
W4 W2 K2 3.4(8) . 7_556
W4 W2 K2 115.9(8) 6_565 7_556
Na2 W2 K2 0.0 7_556 7_556
W5 W2 Na2 88.6(14) . 3_455
Ca1 W2 Na2 102.96(15) . 3_455
W4 W2 Na2 115.9(8) . 3_455
W4 W2 Na2 3.4(8) 6_565 3_455
Na2 W2 Na2 113.3(3) 7_556 3_455
K2 W2 Na2 113.3(3) 7_556 3_455
W5 W2 K2 88.6(14) . 3_455
Ca1 W2 K2 102.96(15) . 3_455
W4 W2 K2 115.9(8) . 3_455
W4 W2 K2 3.4(8) 6_565 3_455
Na2 W2 K2 113.3(3) 7_556 3_455
K2 W2 K2 113.3(3) 7_556 3_455
Na2 W2 K2 0.0 3_455 3_455
W5 W2 W4 86.4(18) . 2_556
Ca1 W2 W4 106.8(7) . 2_556
W4 W2 W4 9.4(13) . 2_556
W4 W2 W4 110.1(5) 6_565 2_556
Na2 W2 W4 6.2(6) 7_556 2_556
K2 W2 W4 6.2(6) 7_556 2_556
Na2 W2 W4 107.5(6) 3_455 2_556
K2 W2 W4 107.5(6) 3_455 2_556
W5 W2 W4 86.4(18) . 5_566
Ca1 W2 W4 106.8(7) . 5_566
W4 W2 W4 110.1(5) . 5_566
W4 W2 W4 9.4(13) 6_565 5_566
Na2 W2 W4 107.5(6) 7_556 5_566
K2 W2 W4 107.5(6) 7_556 5_566
Na2 W2 W4 6.2(6) 3_455 5_566
K2 W2 W4 6.2(6) 3_455 5_566
W4 W2 W4 101.6(12) 2_556 5_566
W5 W2 W2 87(3) . 5_566
Ca1 W2 W2 114.1(3) . 5_566
W4 W2 W2 59.3(8) . 5_566
W4 W2 W2 59.3(8) 6_565 5_566
Na2 W2 W2 56.66(14) 7_556 5_566
K2 W2 W2 56.66(14) 7_556 5_566
Na2 W2 W2 56.66(14) 3_455 5_566
K2 W2 W2 56.66(14) 3_455 5_566
W4 W2 W2 50.9(6) 2_556 5_566
W4 W2 W2 50.9(6) 5_566 5_566
W3 W3 W5 77.9(7) 5_565 .
W3 W3 W5 77.9(7) 5_565 5_565
W5 W3 W5 155.7(14) . 5_565
W3 W3 W1 112.0(4) 5_565 2_556
W5 W3 W1 73.2(14) . 2_556
W5 W3 W1 116.5(16) 5_565 2_556
W3 W3 W1 112.0(4) 5_565 1_554
W5 W3 W1 116.5(16) . 1_554
W5 W3 W1 73.2(14) 5_565 1_554
W1 W3 W1 135.9(9) 2_556 1_554
W3 W3 W1 53.4(3) 5_565 6_564
W5 W3 W1 101.2(13) . 6_564
W5 W3 W1 63.6(14) 5_565 6_564
W1 W3 W1 165.5(8) 2_556 6_564
W1 W3 W1 58.58(19) 1_554 6_564
W3 W3 W1 53.4(3) 5_565 5_566
W5 W3 W1 63.6(14) . 5_566
W5 W3 W1 101.2(13) 5_565 5_566
W1 W3 W1 58.58(19) 2_556 5_566
W1 W3 W1 165.5(8) 1_554 5_566
W1 W3 W1 106.9(7) 6_564 5_566
W3 W3 W2 82.5(4) 5_565 .
W5 W3 W2 6.2(12) . .
W5 W3 W2 159.9(11) 5_565 .
W1 W3 W2 74.89(14) 2_556 .
W1 W3 W2 111.0(2) 1_554 .
W1 W3 W2 101.0(4) 6_564 .
W1 W3 W2 69.8(2) 5_566 .
W3 W3 W2 82.5(4) 5_565 5_565
W5 W3 W2 159.9(11) . 5_565
W5 W3 W2 6.2(12) 5_565 5_565
W1 W3 W2 111.0(2) 2_556 5_565
W1 W3 W2 74.89(14) 1_554 5_565
W1 W3 W2 69.8(2) 6_564 5_565
W1 W3 W2 101.0(4) 5_566 5_565
W2 W3 W2 165.0(8) . 5_565
W3 W3 K2 116.7(3) 5_565 7
W5 W3 K2 156.4(14) . 7
W5 W3 K2 43.3(8) 5_565 7
W1 W3 K2 113.8(5) 2_556 7
W1 W3 K2 42.23(16) 1_554 7
W1 W3 K2 76.83(11) 6_564 7
W1 W3 K2 139.76(15) 5_566 7
W2 W3 K2 150.2(4) . 7
W2 W3 K2 41.38(14) 5_565 7
W3 W3 K2 116.7(3) 5_565 7_556
W5 W3 K2 43.3(8) . 7_556
W5 W3 K2 156.4(14) 5_565 7_556
W1 W3 K2 42.23(16) 2_556 7_556
W1 W3 K2 113.8(5) 1_554 7_556
W1 W3 K2 139.76(15) 6_564 7_556
W1 W3 K2 76.83(10) 5_566 7_556
W2 W3 K2 41.38(14) . 7_556
W2 W3 K2 150.2(4) 5_565 7_556
K2 W3 K2 126.6(6) 7 7_556
Na2 W4 K2 0(3) 7_556 7_556
Na2 W4 W4 31(6) 7_556 2_556
K2 W4 W4 31(6) 7_556 2_556
Na2 W4 W2 147(6) 7_556 .
K2 W4 W2 147(6) 7_556 .
W4 W4 W2 117(2) 2_556 .
Na2 W4 W1 126(7) 7_556 .
K2 W4 W1 126(7) 7_556 .
W4 W4 W1 122(8) 2_556 .
W2 W4 W1 73.8(7) . .
Na2 W4 W2 83(6) 7_556 5_566
K2 W4 W2 83(6) 7_556 5_566
W4 W4 W2 53(2) 2_556 5_566
W2 W4 W2 69.9(5) . 5_566
W1 W4 W2 87.1(9) . 5_566
Na2 W4 W5 125(7) 7_556 .
K2 W4 W5 125(7) 7_556 .
W4 W4 W5 102(5) 2_556 .
W2 W4 W5 27.0(10) . .
W1 W4 W5 100.8(13) . .
W2 W4 W5 70.6(11) 5_566 .
Na2 W4 W1 64(6) 7_556 2_556
K2 W4 W1 64(6) 7_556 2_556
W4 W4 W1 50(7) 2_556 2_556
W2 W4 W1 86.2(8) . 2_556
W1 W4 W1 150.4(9) . 2_556
W2 W4 W1 65.3(7) 5_566 2_556
W5 W4 W1 61.2(13) . 2_556
Na2 W4 W5 93(7) 7_556 5_566
K2 W4 W5 93(7) 7_556 5_566
W4 W4 W5 68(5) 2_556 5_566
W2 W4 W5 71.7(10) . 5_566
W1 W4 W5 62.7(13) . 5_566
W2 W4 W5 25.5(10) 5_566 5_566
W5 W4 W5 83.8(16) . 5_566
W1 W4 W5 90.7(13) 2_556 5_566
Na2 W4 Ca1 162(7) 7_556 .
K2 W4 Ca1 162(7) 7_556 .
W4 W4 Ca1 140(4) 2_556 .
W2 W4 Ca1 39.2(5) . .
W1 W4 Ca1 37.9(4) . .
W2 W4 Ca1 87.5(6) 5_566 .
W5 W4 Ca1 65.2(12) . .
W1 W4 Ca1 125.3(7) 2_556 .
W5 W4 Ca1 73.0(12) 5_566 .
W2 W5 W3 164(3) . .
W2 W5 W3 164(3) . 5_565
W3 W5 W3 24.3(14) . 5_565
W2 W5 W4 62.1(14) . 6_565
W3 W5 W4 134(2) . 6_565
W3 W5 W4 111.9(14) 5_565 6_565
W2 W5 W4 62.1(15) . .
W3 W5 W4 111.9(14) . .
W3 W5 W4 134(2) 5_565 .
W4 W5 W4 99(2) 6_565 .
W2 W5 W1 118(3) . 2_556
W3 W5 W1 64.6(14) . 2_556
W3 W5 W1 77.4(17) 5_565 2_556
W4 W5 W1 106.1(18) 6_565 2_556
W4 W5 W1 61.0(10) . 2_556
W2 W5 W1 118(3) . 5_566
W3 W5 W1 77.4(17) . 5_566
W3 W5 W1 64.6(14) 5_565 5_566
W4 W5 W1 61.0(10) 6_565 5_566
W4 W5 W1 106.1(18) . 5_566
W1 W5 W1 60.2(12) 2_556 5_566
W2 W5 W4 68.1(16) . 5_566
W3 W5 W4 128(2) . 5_566
W3 W5 W4 108.4(15) 5_565 5_566
W4 W5 W4 9.6(13) 6_565 5_566
W4 W5 W4 96.2(16) . 5_566
W1 W5 W4 96.7(18) 2_556 5_566
W1 W5 W4 52.7(10) 5_566 5_566
W2 W5 W4 68.1(16) . 2_556
W3 W5 W4 108.4(15) . 2_556
W3 W5 W4 128(2) 5_565 2_556
W4 W5 W4 96.2(16) 6_565 2_556
W4 W5 W4 9.6(13) . 2_556
W1 W5 W4 52.7(10) 2_556 2_556
W1 W5 W4 96.7(18) 5_566 2_556
W4 W5 W4 92.2(18) 5_566 2_556
W2 W5 Na2 66.1(13) . 3_455
W3 W5 Na2 129.9(19) . 3_455
W3 W5 Na2 108.7(12) 5_565 3_455
W4 W5 Na2 4.6(7) 6_565 3_455
W4 W5 Na2 99.4(16) . 3_455
W1 W5 Na2 102.3(17) 2_556 3_455
W1 W5 Na2 56.4(7) 5_566 3_455
W4 W5 Na2 5.7(6) 5_566 3_455
W4 W5 Na2 96.1(15) 2_556 3_455
W2 W5 K2 66.1(13) . 3_455
W3 W5 K2 129.9(19) . 3_455
W3 W5 K2 108.7(12) 5_565 3_455
W4 W5 K2 4.6(7) 6_565 3_455
W4 W5 K2 99.4(16) . 3_455
W1 W5 K2 102.3(17) 2_556 3_455
W1 W5 K2 56.4(7) 5_566 3_455
W4 W5 K2 5.7(6) 5_566 3_455
W4 W5 K2 96.1(15) 2_556 3_455
Na2 W5 K2 0.0 3_455 3_455
W2 W5 Na2 66.1(13) . 7_556
W3 W5 Na2 108.7(12) . 7_556
W3 W5 Na2 129.9(19) 5_565 7_556
W4 W5 Na2 99.4(16) 6_565 7_556
W4 W5 Na2 4.6(7) . 7_556
W1 W5 Na2 56.4(7) 2_556 7_556
W1 W5 Na2 102.3(17) 5_566 7_556
W4 W5 Na2 96.1(15) 5_566 7_556
W4 W5 Na2 5.7(6) 2_556 7_556
Na2 W5 Na2 99.7(15) 3_455 7_556
K2 W5 Na2 99.7(15) 3_455 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 W1 2.354(4) .
Ca1 W1 2.354(4) 6_565
Ca1 O2 2.431(3) .
Ca1 O2 2.431(3) 6_565
Ca1 W2 2.431(7) .
Ca1 O3 2.452(3) 6_565
Ca1 O3 2.452(3) .
Ca1 Al3 3.1719(18) 6_565
Ca1 Si3 3.1719(18) 6_565
Ca1 Si3 3.1719(18) .
Ca1 Si1 3.6245(16) 7_556
K2 O7 2.703(6) .
K2 O7 2.703(6) 2_656
K2 W2 2.774(7) 7_556
K2 W2 2.774(7) 3_545
K2 W1 2.830(5) 7_556
K2 W1 2.830(5) 8
K2 O4 3.021(6) .
K2 O4 3.021(6) 2_656
K2 W5 3.03(3) 3_545
K2 W5 3.03(3) 7_556
K2 Si2 3.513(6) .
K2 Si2 3.513(6) 2_656
Si1 O5 1.610(3) .
Si1 O2 1.617(2) 7_556
Si1 O4 1.623(3) 8_455
Si1 O1 1.6246(17) .
Si1 Ca1 3.6245(16) 7_556
Si2 O7 1.597(3) .
Si2 O3 1.613(3) 2_657
Si2 O6 1.618(2) .
Si2 O4 1.630(3) .
Si3 O5 1.728(3) .
Si3 O7 1.732(3) .
Si3 O3 1.747(3) .
Si3 O2 1.749(3) .
O1 Si1 1.6246(17) 6
O2 Si1 1.617(2) 7_556
O3 Si2 1.613(3) 2_657
O4 Si1 1.623(3) 8
O6 Si2 1.618(2) 6_565
W1 W4 2.64(3) .
W1 W3 2.788(10) 1_556
W1 Na2 2.830(5) 7_556
W1 K2 2.830(5) 7_556
W1 W4 2.95(3) 2_556
W1 W5 2.95(5) 5_566
W1 W1 2.962(10) 6_565
W1 W2 3.100(6) .
W1 W3 3.218(15) 5_566
W2 W5 1.29(5) .
W2 W4 2.52(2) .
W2 W4 2.52(2) 6_565
W2 Na2 2.774(7) 7_556
W2 K2 2.774(7) 7_556
W2 Na2 2.774(7) 3_455
W2 K2 2.774(7) 3_455
W2 W4 2.79(3) 2_556
W2 W4 2.79(3) 5_566
W2 W2 3.049(13) 5_566
W3 W3 0.87(5) 5_565
W3 W5 2.07(5) .
W3 W5 2.07(5) 5_565
W3 W1 2.788(10) 2_556
W3 W1 2.788(10) 1_554
W3 W1 3.218(15) 6_564
W3 W1 3.218(15) 5_566
W3 W2 3.335(6) 5_565
W3 K2 4.186(11) 7
W3 K2 4.186(11) 7_556
W4 Na2 0.30(3) 7_556
W4 K2 0.30(3) 7_556
W4 W4 0.51(7) 2_556
W4 W2 2.79(3) 5_566
W4 W5 2.85(4) .
W4 W1 2.95(3) 2_556
W4 W5 3.00(5) 5_566
W5 W3 2.07(5) 5_565
W5 W4 2.85(4) 6_565
W5 W1 2.95(5) 2_556
W5 W1 2.95(5) 5_566
W5 W4 3.00(5) 5_566
W5 W4 3.00(5) 2_556
W5 Na2 3.03(3) 3_455
W5 K2 3.03(3) 3_455
W5 Na2 3.03(3) 7_556
