#------------------------------------------------------------------------------
#$Date: 2017-11-18 00:55:48 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548101.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_1548101
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 H29.36 K1.03 Na1.44 O62.68 Si16.07'
_chemical_formula_weight         1880.62
_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                 110.392(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.779(2)
_cell_length_b                   13.1713(17)
_cell_length_c                   7.5423(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1376.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_pressure         60(50)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.435
_diffrn_measured_fraction_theta_max 0.435
_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  0.0765
_diffrn_reflns_av_sigmaI/netI    0.0673
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6477
_diffrn_reflns_theta_full        31.23
_diffrn_reflns_theta_max         31.23
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    0.989
_exptl_crystal_density_diffrn    2.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             949
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1014
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0365
_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)+(0.0572P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0923
_reflns_number_gt                699
_reflns_number_total             1014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg_006_lau_abs_out.cif
_cod_data_source_block           shelxl
_cod_original_formula_sum
'H29.36 Al7.93 Ca2.73 K1.03 Na1.44 O62.68 Si16.07'
_cod_database_code               1548101
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 0.23849(10) 0.5000 0.76527(17) 0.0195(3) Uani 0.68 2 d SP . .
Na1 Na 0.23849(10) 0.5000 0.76527(17) 0.0195(3) Uani 0.32 2 d SP . .
K2 K 0.5000 0.1773(5) 0.5000 0.0260(16) Uani 0.26 2 d SP . .
Na2 Na 0.5000 0.1773(5) 0.5000 0.0260(16) Uani 0.04 2 d SP . .
Si1 Si 0.23691(8) 0.11701(8) 0.64975(12) 0.0103(2) Uani 1 1 d . . .
Si2 Si 0.57800(8) 0.38362(8) 0.82162(12) 0.0116(3) Uani 1 1 d . . .
Si3 Si 0.36934(9) 0.30791(9) 0.76550(13) 0.0117(3) Uani 0.01 1 d P . .
Al3 Al 0.36934(9) 0.30791(9) 0.76550(13) 0.0117(3) Uani 0.99 1 d P . .
O1 O 0.2612(3) 0.0000 0.7195(4) 0.0141(9) Uani 1 2 d S . .
O2 O 0.28880(18) 0.37605(19) 0.5762(3) 0.0141(6) Uani 1 1 d . . .
O3 O 0.35934(19) 0.37804(18) 0.9552(3) 0.0173(7) Uani 1 1 d . . .
O4 O 0.64457(18) 0.3461(2) 0.7022(3) 0.0167(6) Uani 1 1 d . . .
O5 O 0.33024(19) 0.18373(19) 0.7635(3) 0.0148(7) Uani 1 1 d . . .
O6 O 0.5449(3) 0.5000 0.7646(4) 0.0144(9) Uani 1 2 d S . .
O7 O 0.48648(19) 0.30907(19) 0.7677(3) 0.0145(7) Uani 1 1 d . . .
W1 O 0.1365(4) 0.3888(4) 0.8569(5) 0.070(2) Uani 0.837(8) 1 d P . .
W2 O 0.0970(5) 0.5000 0.4803(8) 0.043(2) Uani 0.764(10) 2 d SP . .
W3 O 0.0000 0.4551(13) 0.0000 0.152(10) Uiso 0.479(13) 2 d SP . .
W4 O 0.0263(18) 0.3354(14) 0.524(4) 0.085(9) Uiso 0.297(8) 1 d P . .
W5 O 0.043(4) 0.5000 0.268(7) 0.13(3) Uiso 0.160(16) 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'
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 76.3(3) . 6_565
W1 Ca1 W2 79.55(15) . .
W1 Ca1 W2 79.55(15) 6_565 .
W1 Ca1 O2 96.36(13) . .
W1 Ca1 O2 159.23(14) 6_565 .
W2 Ca1 O2 80.01(12) . .
W1 Ca1 O2 159.23(14) . 6_565
W1 Ca1 O2 96.36(13) 6_565 6_565
W2 Ca1 O2 80.01(12) . 6_565
O2 Ca1 O2 83.68(12) . 6_565
W1 Ca1 O3 129.84(11) . 6_565
W1 Ca1 O3 80.38(14) 6_565 6_565
W2 Ca1 O3 138.16(7) . 6_565
O2 Ca1 O3 117.97(10) . 6_565
O2 Ca1 O3 66.23(8) 6_565 6_565
W1 Ca1 O3 80.38(14) . .
W1 Ca1 O3 129.84(11) 6_565 .
W2 Ca1 O3 138.16(7) . .
O2 Ca1 O3 66.23(8) . .
O2 Ca1 O3 117.97(10) 6_565 .
O3 Ca1 O3 81.64(13) 6_565 .
W1 Ca1 Al3 159.79(11) . 6_565
W1 Ca1 Al3 87.51(14) 6_565 6_565
W2 Ca1 Al3 109.70(8) . 6_565
O2 Ca1 Al3 102.86(7) . 6_565
O2 Ca1 Al3 33.13(6) 6_565 6_565
O3 Ca1 Al3 33.11(5) 6_565 6_565
O3 Ca1 Al3 101.61(8) . 6_565
W1 Ca1 Si3 159.79(11) . 6_565
W1 Ca1 Si3 87.51(14) 6_565 6_565
W2 Ca1 Si3 109.70(8) . 6_565
O2 Ca1 Si3 102.86(7) . 6_565
O2 Ca1 Si3 33.13(6) 6_565 6_565
O3 Ca1 Si3 33.11(5) 6_565 6_565
O3 Ca1 Si3 101.61(8) . 6_565
Al3 Ca1 Si3 0.00(2) 6_565 6_565
W1 Ca1 Si3 87.51(13) . .
W1 Ca1 Si3 159.79(11) 6_565 .
W2 Ca1 Si3 109.70(8) . .
O2 Ca1 Si3 33.13(6) . .
O2 Ca1 Si3 102.86(7) 6_565 .
O3 Ca1 Si3 101.61(8) 6_565 .
O3 Ca1 Si3 33.11(5) . .
Al3 Ca1 Si3 105.23(6) 6_565 .
Si3 Ca1 Si3 105.23(6) 6_565 .
W1 Ca1 Si1 104.76(11) . 7_556
W1 Ca1 Si1 141.34(11) 6_565 7_556
W2 Ca1 Si1 63.14(12) . 7_556
O2 Ca1 Si1 21.50(6) . 7_556
O2 Ca1 Si1 68.76(6) 6_565 7_556
O3 Ca1 Si1 120.72(7) 6_565 7_556
O3 Ca1 Si1 87.37(6) . 7_556
Al3 Ca1 Si1 95.44(4) 6_565 7_556
Si3 Ca1 Si1 95.44(4) 6_565 7_556
Si3 Ca1 Si1 54.42(3) . 7_556
O7 K2 O7 100.8(2) . 2_656
O7 K2 W2 108.93(12) . 7_556
O7 K2 W2 138.60(14) 2_656 7_556
O7 K2 W2 138.60(14) . 3_545
O7 K2 W2 108.93(12) 2_656 3_545
W2 K2 W2 65.1(3) 7_556 3_545
O7 K2 W1 132.66(16) . 7_556
O7 K2 W1 73.02(9) 2_656 7_556
W2 K2 W1 65.69(16) 7_556 7_556
W2 K2 W1 84.4(2) 3_545 7_556
O7 K2 W1 73.02(10) . 8
O7 K2 W1 132.66(16) 2_656 8
W2 K2 W1 84.4(2) 7_556 8
W2 K2 W1 65.69(16) 3_545 8
W1 K2 W1 144.8(3) 7_556 8
O7 K2 O4 52.60(11) . .
O7 K2 O4 71.99(14) 2_656 .
W2 K2 O4 149.41(13) 7_556 .
W2 K2 O4 110.55(13) 3_545 .
W1 K2 O4 144.80(19) 7_556 .
W1 K2 O4 67.53(12) 8 .
O7 K2 O4 71.99(14) . 2_656
O7 K2 O4 52.60(11) 2_656 2_656
W2 K2 O4 110.55(13) 7_556 2_656
W2 K2 O4 149.41(13) 3_545 2_656
W1 K2 O4 67.53(12) 7_556 2_656
W1 K2 O4 144.80(19) 8 2_656
O4 K2 O4 88.07(19) . 2_656
O7 K2 W5 167.7(8) . 3_545
O7 K2 W5 88.9(6) 2_656 3_545
W2 K2 W5 66.9(8) 7_556 3_545
W2 K2 W5 29.2(9) 3_545 3_545
W1 K2 W5 57.4(10) 7_556 3_545
W1 K2 W5 94.8(9) 8 3_545
O4 K2 W5 125.2(10) . 3_545
O4 K2 W5 120.2(9) 2_656 3_545
O7 K2 W5 88.9(6) . 7_556
O7 K2 W5 167.7(8) 2_656 7_556
W2 K2 W5 29.2(9) 7_556 7_556
W2 K2 W5 66.9(8) 3_545 7_556
W1 K2 W5 94.8(9) 7_556 7_556
W1 K2 W5 57.4(10) 8 7_556
O4 K2 W5 120.2(9) . 7_556
O4 K2 W5 125.2(10) 2_656 7_556
W5 K2 W5 82.7(13) 3_545 7_556
O7 K2 Si2 25.46(7) . .
O7 K2 Si2 85.92(16) 2_656 .
W2 K2 Si2 131.15(11) 7_556 .
W2 K2 Si2 129.04(12) 3_545 .
W1 K2 Si2 145.5(2) 7_556 .
W1 K2 Si2 68.80(11) 8 .
O4 K2 Si2 27.16(6) . .
O4 K2 Si2 77.95(14) 2_656 .
W5 K2 Si2 151.1(10) 3_545 .
W5 K2 Si2 105.8(7) 7_556 .
O7 K2 Si2 85.92(16) . 2_656
O7 K2 Si2 25.46(7) 2_656 2_656
W2 K2 Si2 129.04(12) 7_556 2_656
W2 K2 Si2 131.15(11) 3_545 2_656
W1 K2 Si2 68.80(11) 7_556 2_656
W1 K2 Si2 145.5(2) 8 2_656
O4 K2 Si2 77.95(14) . 2_656
O4 K2 Si2 27.16(6) 2_656 2_656
W5 K2 Si2 105.8(7) 3_545 2_656
W5 K2 Si2 151.1(10) 7_556 2_656
Si2 K2 Si2 80.36(14) . 2_656
O5 Si1 O2 112.03(13) . 7_556
O5 Si1 O4 110.14(15) . 8_455
O2 Si1 O4 109.39(13) 7_556 8_455
O5 Si1 O1 107.06(16) . .
O2 Si1 O1 109.83(14) 7_556 .
O4 Si1 O1 108.30(16) 8_455 .
O5 Si1 Ca1 111.61(10) . 7_556
O2 Si1 Ca1 33.77(9) 7_556 7_556
O4 Si1 Ca1 133.24(10) 8_455 7_556
O1 Si1 Ca1 78.42(11) . 7_556
O7 Si2 O3 111.26(13) . 2_657
O7 Si2 O6 111.22(18) . .
O3 Si2 O6 109.27(15) 2_657 .
O7 Si2 O4 107.04(15) . .
O3 Si2 O4 109.01(14) 2_657 .
O6 Si2 O4 108.97(16) . .
O7 Si2 K2 46.80(10) . .
O3 Si2 K2 127.43(12) 2_657 .
O6 Si2 K2 123.05(13) . .
O4 Si2 K2 60.31(10) . .
O7 Si3 O5 109.80(13) . .
O7 Si3 O3 110.94(13) . .
O5 Si3 O3 112.44(12) . .
O7 Si3 O2 113.41(12) . .
O5 Si3 O2 110.26(13) . .
O3 Si3 O2 99.71(12) . .
O7 Si3 Ca1 126.88(10) . .
O5 Si3 Ca1 123.32(10) . .
O3 Si3 Ca1 50.02(9) . .
O2 Si3 Ca1 49.70(8) . .
O7 Si3 K2 44.80(9) . .
O5 Si3 K2 77.86(12) . .
O3 Si3 K2 154.88(11) . .
O2 Si3 K2 97.63(9) . .
Ca1 Si3 K2 144.03(8) . .
Si1 O1 Si1 142.5(2) 6 .
Si1 O2 Si3 137.03(16) 7_556 .
Si1 O2 Ca1 124.73(13) 7_556 .
Si3 O2 Ca1 97.17(10) . .
Si2 O3 Si3 133.95(16) 2_657 .
Si2 O3 Ca1 127.87(13) 2_657 .
Si3 O3 Ca1 96.87(10) . .
Si1 O4 Si2 140.13(18) 8 .
Si1 O4 K2 126.19(11) 8 .
Si2 O4 K2 92.53(11) . .
Si1 O5 Si3 137.87(17) . .
Si2 O6 Si2 142.1(2) 6_565 .
Si2 O7 Si3 139.63(18) . .
Si2 O7 K2 107.74(14) . .
Si3 O7 K2 108.66(11) . .
Ca1 W1 W4 97.7(6) . .
Ca1 W1 W3 123.2(4) . 1_556
W4 W1 W3 99.8(6) . 1_556
Ca1 W1 Na2 102.94(14) . 7_556
W4 W1 Na2 5.5(6) . 7_556
W3 W1 Na2 95.30(18) 1_556 7_556
Ca1 W1 K2 102.94(14) . 7_556
W4 W1 K2 5.5(6) . 7_556
W3 W1 K2 95.30(18) 1_556 7_556
Na2 W1 K2 0.0(2) 7_556 7_556
Ca1 W1 W5 101.3(7) . 5_566
W4 W1 W5 67.8(10) . 5_566
W3 W1 W5 41.3(9) 1_556 5_566
Na2 W1 W5 65.3(8) 7_556 5_566
K2 W1 W5 65.3(8) 7_556 5_566
Ca1 W1 W1 51.84(13) . 6_565
W4 W1 W1 105.9(4) . 6_565
W3 W1 W1 71.4(3) 1_556 6_565
Na2 W1 W1 107.61(15) 7_556 6_565
K2 W1 W1 107.61(15) 7_556 6_565
W5 W1 W1 59.5(6) 5_566 6_565
Ca1 W1 W2 50.95(13) . .
W4 W1 W2 51.2(5) . .
W3 W1 W2 106.5(3) 1_556 .
Na2 W1 W2 55.46(14) 7_556 .
K2 W1 W2 55.46(14) 7_556 .
W5 W1 W2 66.2(9) 5_566 .
W1 W1 W2 61.46(10) 6_565 .
Ca1 W1 W4 103.7(5) . 2_556
W4 W1 W4 10.0(11) . 2_556
W3 W1 W4 89.8(5) 1_556 2_556
Na2 W1 W4 6.3(4) 7_556 2_556
K2 W1 W4 6.3(4) 7_556 2_556
W5 W1 W4 59.1(9) 5_566 2_556
W1 W1 W4 103.0(3) 6_565 2_556
W2 W1 W4 54.4(4) . 2_556
Ca1 W1 W3 103.4(3) . 5_566
W4 W1 W3 103.8(6) . 5_566
W3 W1 W3 19.8(6) 1_556 5_566
Na2 W1 W3 100.63(18) 7_556 5_566
K2 W1 W3 100.63(18) 7_556 5_566
W5 W1 W3 36.6(9) 5_566 5_566
W1 W1 W3 51.6(2) 6_565 5_566
W2 W1 W3 93.7(2) . 5_566
W4 W1 W3 94.4(5) 2_556 5_566
W5 W2 Ca1 156(2) . .
W5 W2 W4 92.7(11) . .
Ca1 W2 W4 99.0(6) . .
W5 W2 W4 92.7(11) . 6_565
Ca1 W2 W4 99.0(6) . 6_565
W4 W2 W4 122.1(13) . 6_565
W5 W2 Na2 87.9(11) . 7_556
Ca1 W2 Na2 104.79(14) . 7_556
W4 W2 Na2 6.1(6) . 7_556
W4 W2 Na2 118.7(6) 6_565 7_556
W5 W2 K2 87.9(11) . 7_556
Ca1 W2 K2 104.79(14) . 7_556
W4 W2 K2 6.1(6) . 7_556
W4 W2 K2 118.7(6) 6_565 7_556
Na2 W2 K2 0.0 7_556 7_556
W5 W2 Na2 87.9(11) . 3_455
Ca1 W2 Na2 104.79(14) . 3_455
W4 W2 Na2 118.7(6) . 3_455
W4 W2 Na2 6.1(6) 6_565 3_455
Na2 W2 Na2 114.9(3) 7_556 3_455
K2 W2 Na2 114.9(3) 7_556 3_455
W5 W2 K2 87.9(11) . 3_455
Ca1 W2 K2 104.79(14) . 3_455
W4 W2 K2 118.7(6) . 3_455
W4 W2 K2 6.1(6) 6_565 3_455
Na2 W2 K2 114.9(3) 7_556 3_455
K2 W2 K2 114.9(3) 7_556 3_455
Na2 W2 K2 0.0 3_455 3_455
W5 W2 W4 83.5(14) . 2_556
Ca1 W2 W4 111.3(5) . 2_556
W4 W2 W4 14.1(9) . 2_556
W4 W2 W4 111.9(5) 6_565 2_556
Na2 W2 W4 8.2(4) 7_556 2_556
K2 W2 W4 8.2(4) 7_556 2_556
Na2 W2 W4 107.7(5) 3_455 2_556
K2 W2 W4 107.7(5) 3_455 2_556
W5 W2 W4 83.5(14) . 5_566
Ca1 W2 W4 111.3(5) . 5_566
W4 W2 W4 111.9(5) . 5_566
W4 W2 W4 14.1(9) 6_565 5_566
Na2 W2 W4 107.7(5) 7_556 5_566
K2 W2 W4 107.7(5) 7_556 5_566
Na2 W2 W4 8.2(4) 3_455 5_566
K2 W2 W4 8.2(4) 3_455 5_566
W4 W2 W4 100.2(9) 2_556 5_566
W5 W2 W2 86(2) . 5_566
Ca1 W2 W2 118.3(3) . 5_566
W4 W2 W2 61.5(6) . 5_566
W4 W2 W2 61.5(6) 6_565 5_566
Na2 W2 W2 57.44(13) 7_556 5_566
K2 W2 W2 57.44(13) 7_556 5_566
Na2 W2 W2 57.44(13) 3_455 5_566
K2 W2 W2 57.44(13) 3_455 5_566
W4 W2 W2 50.4(5) 2_556 5_566
W4 W2 W2 50.4(5) 5_566 5_566
W3 W3 W5 72.7(6) 5_565 .
W3 W3 W5 72.7(6) 5_565 5_565
W5 W3 W5 145.4(12) . 5_565
W3 W3 W1 108.6(3) 5_565 2_556
W5 W3 W1 73.2(14) . 2_556
W5 W3 W1 118.6(16) 5_565 2_556
W3 W3 W1 108.6(3) 5_565 1_554
W5 W3 W1 118.6(16) . 1_554
W5 W3 W1 73.2(14) 5_565 1_554
W1 W3 W1 142.9(7) 2_556 1_554
W3 W3 W1 51.6(2) 5_565 6_564
W5 W3 W1 97.7(12) . 6_564
W5 W3 W1 59.8(14) 5_565 6_564
W1 W3 W1 160.2(6) 2_556 6_564
W1 W3 W1 56.93(18) 1_554 6_564
W3 W3 W1 51.6(2) 5_565 5_566
W5 W3 W1 59.8(14) . 5_566
W5 W3 W1 97.7(12) 5_565 5_566
W1 W3 W1 56.93(18) 2_556 5_566
W1 W3 W1 160.2(6) 1_554 5_566
W1 W3 W1 103.3(5) 6_564 5_566
W3 W3 W2 80.1(3) 5_565 .
W5 W3 W2 8.9(10) . .
W5 W3 W2 152.4(9) 5_565 .
W1 W3 W2 74.62(13) 2_556 .
W1 W3 W2 111.99(14) 1_554 .
W1 W3 W2 99.1(3) 6_564 .
W1 W3 W2 68.22(19) 5_566 .
W3 W3 W2 80.1(3) 5_565 5_565
W5 W3 W2 152.4(9) . 5_565
W5 W3 W2 8.9(10) 5_565 5_565
W1 W3 W2 111.99(14) 2_556 5_565
W1 W3 W2 74.62(13) 1_554 5_565
W1 W3 W2 68.22(19) 6_564 5_565
W1 W3 W2 99.1(3) 5_566 5_565
W2 W3 W2 160.2(6) . 5_565
W3 W3 K2 114.8(2) 5_565 7
W5 W3 K2 161.5(15) . 7
W5 W3 K2 45.7(7) 5_565 7
W1 W3 K2 117.2(4) 2_556 7
W1 W3 K2 43.63(13) 1_554 7
W1 W3 K2 76.84(9) 6_564 7
W1 W3 K2 138.47(15) 5_566 7
W2 W3 K2 153.3(3) . 7
W2 W3 K2 41.46(11) 5_565 7
W3 W3 K2 114.8(2) 5_565 7_556
W5 W3 K2 45.7(7) . 7_556
W5 W3 K2 161.5(15) 5_565 7_556
W1 W3 K2 43.63(13) 2_556 7_556
W1 W3 K2 117.2(4) 1_554 7_556
W1 W3 K2 138.47(15) 6_564 7_556
W1 W3 K2 76.84(9) 5_566 7_556
W2 W3 K2 41.46(11) . 7_556
W2 W3 K2 153.3(3) 5_565 7_556
K2 W3 K2 130.4(5) 7 7_556
Na2 W4 K2 0.0(16) 7_556 7_556
Na2 W4 W4 25(3) 7_556 2_556
K2 W4 W4 25(3) 7_556 2_556
Na2 W4 W2 134(4) 7_556 .
K2 W4 W2 134(4) 7_556 .
W4 W4 W2 111.1(16) 2_556 .
Na2 W4 W1 137(4) 7_556 .
K2 W4 W1 137(4) 7_556 .
W4 W4 W1 133(4) 2_556 .
W2 W4 W1 74.8(6) . .
Na2 W4 W2 78(4) 7_556 5_566
K2 W4 W2 78(4) 7_556 5_566
W4 W4 W2 54.9(15) 2_556 5_566
W2 W4 W2 68.1(5) . 5_566
W1 W4 W2 89.3(7) . 5_566
Na2 W4 W5 108(4) 7_556 .
K2 W4 W5 108(4) 7_556 .
W4 W4 W5 90(3) 2_556 .
W2 W4 W5 30.7(9) . .
W1 W4 W5 105.5(11) . .
W2 W4 W5 68.3(10) 5_566 .
Na2 W4 W5 95(4) 7_556 5_566
K2 W4 W5 95(4) 7_556 5_566
W4 W4 W5 76(3) 2_556 5_566
W2 W4 W5 71.2(9) . 5_566
W1 W4 W5 61.0(11) . 5_566
W2 W4 W5 29.6(9) 5_566 5_566
W5 W4 W5 86.1(14) . 5_566
Na2 W4 W1 51(3) 7_556 2_556
K2 W4 W1 51(3) 7_556 2_556
W4 W4 W1 37(4) 2_556 2_556
W2 W4 W1 84.6(6) . 2_556
W1 W4 W1 149.5(8) . 2_556
W2 W4 W1 61.9(5) 5_566 2_556
W5 W4 W1 56.5(11) . 2_556
W5 W4 W1 91.4(11) 5_566 2_556
Na2 W4 Ca1 167(4) 7_556 .
K2 W4 Ca1 167(4) 7_556 .
W4 W4 Ca1 143.8(9) 2_556 .
W2 W4 Ca1 40.0(3) . .
W1 W4 Ca1 39.1(3) . .
W2 W4 Ca1 89.4(5) 5_566 .
W5 W4 Ca1 69.3(10) . .
W5 W4 Ca1 73.2(10) 5_566 .
W1 W4 Ca1 124.6(6) 2_556 .
W2 W5 W3 159(2) . .
W2 W5 W3 159(2) . 5_565
W3 W5 W3 34.6(12) . 5_565
W2 W5 W1 116(2) . 2_556
W3 W5 W1 65.5(13) . 2_556
W3 W5 W1 83.5(18) 5_565 2_556
W2 W5 W1 116(2) . 5_566
W3 W5 W1 83.5(18) . 5_566
W3 W5 W1 65.5(13) 5_565 5_566
W1 W5 W1 61.1(12) 2_556 5_566
W2 W5 W4 56.6(11) . 6_565
W3 W5 W4 144.1(18) . 6_565
W3 W5 W4 112.0(10) 5_565 6_565
W1 W5 W4 108.1(17) 2_556 6_565
W1 W5 W4 64.4(9) 5_566 6_565
W2 W5 W4 56.6(11) . .
W3 W5 W4 112.0(10) . .
W3 W5 W4 144.1(18) 5_565 .
W1 W5 W4 64.4(9) 2_556 .
W1 W5 W4 108.1(17) 5_566 .
W4 W5 W4 94.0(16) 6_565 .
W2 W5 W4 66.9(13) . 5_566
W3 W5 W4 134(2) . 5_566
W3 W5 W4 105.5(12) 5_565 5_566
W1 W5 W4 95.5(16) 2_556 5_566
W1 W5 W4 51.2(8) 5_566 5_566
W4 W5 W4 13.9(9) 6_565 5_566
W4 W5 W4 93.9(14) . 5_566
W2 W5 W4 66.9(13) . 2_556
W3 W5 W4 105.5(12) . 2_556
W3 W5 W4 134(2) 5_565 2_556
W1 W5 W4 51.2(8) 2_556 2_556
W1 W5 W4 95.5(16) 5_566 2_556
W4 W5 W4 93.9(14) 6_565 2_556
W4 W5 W4 13.9(9) . 2_556
W4 W5 W4 90.5(16) 5_566 2_556
W2 W5 K2 62.9(11) . 3_455
W3 W5 K2 137.7(18) . 3_455
W3 W5 K2 107.1(10) 5_565 3_455
W1 W5 K2 102.8(16) 2_556 3_455
W1 W5 K2 57.3(7) 5_566 3_455
W4 W5 K2 7.1(5) 6_565 3_455
W4 W5 K2 96.1(14) . 3_455
W4 W5 K2 7.4(4) 5_566 3_455
W4 W5 K2 94.3(14) 2_556 3_455
W2 W5 K2 62.9(11) . 7_556
W3 W5 K2 107.1(10) . 7_556
W3 W5 K2 137.7(18) 5_565 7_556
W1 W5 K2 57.3(7) 2_556 7_556
W1 W5 K2 102.8(16) 5_566 7_556
W4 W5 K2 96.1(14) 6_565 7_556
W4 W5 K2 7.1(5) . 7_556
W4 W5 K2 94.3(14) 5_566 7_556
W4 W5 K2 7.4(4) 2_556 7_556
K2 W5 K2 97.3(13) 3_455 7_556
W2 W5 Na2 62.9(11) . 7_556
W3 W5 Na2 107.1(10) . 7_556
W3 W5 Na2 137.7(18) 5_565 7_556
W1 W5 Na2 57.3(7) 2_556 7_556
W1 W5 Na2 102.8(16) 5_566 7_556
W4 W5 Na2 96.1(14) 6_565 7_556
W4 W5 Na2 7.1(5) . 7_556
W4 W5 Na2 94.3(14) 5_566 7_556
W4 W5 Na2 7.4(4) 2_556 7_556
K2 W5 Na2 97.3(13) 3_455 7_556
K2 W5 Na2 0.00(15) 7_556 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 2.371(4) .
Ca1 W1 2.371(4) 6_565
Ca1 W2 2.421(6) .
Ca1 O2 2.448(2) .
Ca1 O2 2.448(2) 6_565
Ca1 O3 2.457(3) 6_565
Ca1 O3 2.457(3) .
Ca1 Al3 3.1840(15) 6_565
Ca1 Si3 3.1840(15) 6_565
Ca1 Si3 3.1840(15) .
Ca1 Si1 3.6192(14) 7_556
K2 O7 2.722(5) .
K2 O7 2.722(5) 2_656
K2 W2 2.771(6) 7_556
K2 W2 2.771(6) 3_545
K2 W1 2.879(4) 7_556
K2 W1 2.879(4) 8
K2 O4 3.092(5) .
K2 O4 3.092(5) 2_656
K2 W5 3.11(3) 3_545
K2 W5 3.11(3) 7_556
K2 Si2 3.556(5) .
K2 Si2 3.556(5) 2_656
Si1 O5 1.608(3) .
Si1 O2 1.614(2) 7_556
Si1 O4 1.622(3) 8_455
Si1 O1 1.6276(15) .
Si1 Ca1 3.6192(14) 7_556
Si2 O7 1.605(3) .
Si2 O3 1.616(2) 2_657
Si2 O6 1.6208(16) .
Si2 O4 1.625(2) .
Si3 O7 1.726(3) .
Si3 O5 1.733(3) .
Si3 O3 1.752(2) .
Si3 O2 1.754(3) .
O1 Si1 1.6276(15) 6
O2 Si1 1.614(2) 7_556
O3 Si2 1.616(2) 2_657
O4 Si1 1.622(3) 8
O6 Si2 1.6208(16) 6_565
W1 W4 2.57(2) .
W1 W3 2.741(8) 1_556
W1 Na2 2.879(4) 7_556
W1 K2 2.879(4) 7_556
W1 W5 2.88(5) 5_566
W1 W1 2.929(10) 6_565
W1 W2 3.066(6) .
W1 W4 3.12(2) 2_556
W1 W3 3.314(12) 5_566
W2 W5 1.52(5) .
W2 W4 2.48(2) .
W2 W4 2.48(2) 6_565
W2 Na2 2.771(6) 7_556
W2 K2 2.771(6) 7_556
W2 Na2 2.771(6) 3_455
W2 K2 2.771(6) 3_455
W2 W4 2.83(2) 2_556
W2 W4 2.83(2) 5_566
W2 W2 2.983(12) 5_566
W3 W3 1.18(3) 5_565
W3 W5 1.99(4) .
W3 W5 1.99(4) 5_565
W3 W1 2.741(8) 2_556
W3 W1 2.741(8) 1_554
W3 W1 3.314(12) 6_564
W3 W1 3.314(12) 5_566
W3 W2 3.451(6) 5_565
W3 K2 4.155(8) 7
W3 K2 4.155(8) 7_556
W4 Na2 0.40(2) 7_556
W4 K2 0.40(2) 7_556
W4 W4 0.74(5) 2_556
W4 W2 2.83(2) 5_566
W4 W5 2.96(4) .
W4 W5 3.05(4) 5_566
W4 W1 3.12(2) 2_556
W5 W3 1.99(4) 5_565
W5 W1 2.88(5) 2_556
W5 W1 2.88(5) 5_566
W5 W4 2.96(4) 6_565
W5 W4 3.05(4) 5_566
W5 W4 3.05(4) 2_556
W5 K2 3.11(3) 3_455
W5 K2 3.11(3) 7_556
W5 Na2 3.11(3) 7_556
