#------------------------------------------------------------------------------
#$Date: 2017-11-18 00:54:22 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203295 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548100.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_1548100
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 K1.03 Na1.44 O62.5 Si16.07'
_chemical_formula_weight         1877.38
_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                 110.447(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.759(2)
_cell_length_b                   13.1784(16)
_cell_length_c                   7.5407(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1374.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_pressure         20(50)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.436
_diffrn_measured_fraction_theta_max 0.436
_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  0.0874
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6460
_diffrn_reflns_theta_full        31.23
_diffrn_reflns_theta_max         31.23
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    0.990
_exptl_crystal_density_diffrn    2.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             947
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0382
_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)+(0.0577P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                704
_reflns_number_total             1015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg_0015_lau_abs_out.cif
_cod_data_source_block           shelxl
_cod_original_formula_sum
'H29 Al7.93 Ca2.73 K1.03 Na1.44 O62.5 Si16.07'
_cod_database_code               1548100
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 0.23819(11) 0.5000 0.76493(17) 0.0187(4) Uani 0.68 2 d SP . .
Na1 Na 0.23819(11) 0.5000 0.76493(17) 0.0187(4) Uani 0.32 2 d SP . .
K2 K 0.5000 0.1780(5) 0.5000 0.0241(15) Uani 0.26 2 d SP . .
Na2 Na 0.5000 0.1780(5) 0.5000 0.0241(15) Uani 0.04 2 d SP . .
Si1 Si 0.23689(8) 0.11701(8) 0.64948(13) 0.0094(2) Uani 1 1 d . . .
Si2 Si 0.57797(8) 0.38377(9) 0.82148(13) 0.0107(3) Uani 1 1 d . . .
Si3 Si 0.36927(9) 0.30782(9) 0.76586(13) 0.0105(3) Uani 0.01 1 d P . .
Al3 Al 0.36927(9) 0.30782(9) 0.76586(13) 0.0105(3) Uani 0.99 1 d P . .
O1 O 0.2611(3) 0.0000 0.7199(4) 0.0128(9) Uani 1 2 d S . .
O2 O 0.28845(19) 0.37599(19) 0.5760(3) 0.0126(6) Uani 1 1 d . . .
O3 O 0.3590(2) 0.37803(19) 0.9552(3) 0.0164(7) Uani 1 1 d . . .
O4 O 0.64449(19) 0.3463(2) 0.7016(3) 0.0171(7) Uani 1 1 d . . .
O5 O 0.33056(19) 0.1835(2) 0.7642(3) 0.0146(7) Uani 1 1 d . . .
O6 O 0.5448(3) 0.5000 0.7647(4) 0.0146(9) Uani 1 2 d S . .
O7 O 0.4867(2) 0.3092(2) 0.7676(3) 0.0134(7) Uani 1 1 d . . .
W1 O 0.1358(4) 0.3892(4) 0.8563(5) 0.071(2) Uani 0.839(8) 1 d P . .
W2 O 0.0955(5) 0.5000 0.4791(8) 0.040(2) Uani 0.737(10) 2 d SP . .
W3 O 0.0000 0.4547(14) 0.0000 0.153(11) Uiso 0.483(13) 2 d SP . .
W4 O 0.0276(18) 0.3372(14) 0.526(3) 0.083(9) Uiso 0.291(8) 1 d P . .
W5 O 0.039(4) 0.5000 0.267(7) 0.11(3) Uiso 0.147(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 76.0(3) . 6_565
W1 Ca1 W2 79.34(16) . .
W1 Ca1 W2 79.34(16) 6_565 .
W1 Ca1 O2 96.41(14) . .
W1 Ca1 O2 159.11(14) 6_565 .
W2 Ca1 O2 80.13(12) . .
W1 Ca1 O2 159.11(14) . 6_565
W1 Ca1 O2 96.41(14) 6_565 6_565
W2 Ca1 O2 80.13(12) . 6_565
O2 Ca1 O2 83.79(12) . 6_565
W1 Ca1 O3 129.76(12) . 6_565
W1 Ca1 O3 80.41(15) 6_565 6_565
W2 Ca1 O3 138.17(7) . 6_565
O2 Ca1 O3 118.12(10) . 6_565
O2 Ca1 O3 66.26(8) 6_565 6_565
W1 Ca1 O3 80.41(15) . .
W1 Ca1 O3 129.76(12) 6_565 .
W2 Ca1 O3 138.17(7) . .
O2 Ca1 O3 66.26(8) . .
O2 Ca1 O3 118.12(10) 6_565 .
O3 Ca1 O3 81.74(13) 6_565 .
W1 Ca1 Al3 159.64(12) . 6_565
W1 Ca1 Al3 87.60(14) 6_565 6_565
W2 Ca1 Al3 109.83(8) . 6_565
O2 Ca1 Al3 102.99(8) . 6_565
O2 Ca1 Al3 33.18(6) 6_565 6_565
O3 Ca1 Al3 33.09(5) 6_565 6_565
O3 Ca1 Al3 101.69(9) . 6_565
W1 Ca1 Si3 159.64(12) . 6_565
W1 Ca1 Si3 87.60(14) 6_565 6_565
W2 Ca1 Si3 109.83(8) . 6_565
O2 Ca1 Si3 102.99(8) . 6_565
O2 Ca1 Si3 33.18(6) 6_565 6_565
O3 Ca1 Si3 33.09(5) 6_565 6_565
O3 Ca1 Si3 101.69(9) . 6_565
Al3 Ca1 Si3 0.00(4) 6_565 6_565
W1 Ca1 Si3 87.60(14) . .
W1 Ca1 Si3 159.64(12) 6_565 .
W2 Ca1 Si3 109.83(8) . .
O2 Ca1 Si3 33.18(6) . .
O2 Ca1 Si3 102.99(8) 6_565 .
O3 Ca1 Si3 101.69(9) 6_565 .
O3 Ca1 Si3 33.09(5) . .
Al3 Ca1 Si3 105.32(6) 6_565 .
Si3 Ca1 Si3 105.32(6) 6_565 .
W1 Ca1 Si1 104.85(11) . 7_556
W1 Ca1 Si1 141.39(11) 6_565 7_556
W2 Ca1 Si1 63.38(13) . 7_556
O2 Ca1 Si1 21.46(6) . 7_556
O2 Ca1 Si1 68.82(6) 6_565 7_556
O3 Ca1 Si1 120.77(7) 6_565 7_556
O3 Ca1 Si1 87.35(6) . 7_556
Al3 Ca1 Si1 95.50(4) 6_565 7_556
Si3 Ca1 Si1 95.50(4) 6_565 7_556
Si3 Ca1 Si1 54.41(3) . 7_556
O7 K2 O7 100.9(2) . 2_656
O7 K2 W2 109.06(13) . 7_556
O7 K2 W2 138.75(14) 2_656 7_556
O7 K2 W2 138.75(14) . 3_545
O7 K2 W2 109.06(13) 2_656 3_545
W2 K2 W2 64.2(3) 7_556 3_545
O7 K2 W1 133.08(16) . 7_556
O7 K2 W1 73.10(10) 2_656 7_556
W2 K2 W1 65.77(17) 7_556 7_556
W2 K2 W1 83.6(2) 3_545 7_556
O7 K2 W1 73.10(10) . 8
O7 K2 W1 133.08(16) 2_656 8
W2 K2 W1 83.6(2) 7_556 8
W2 K2 W1 65.77(17) 3_545 8
W1 K2 W1 144.1(3) 7_556 8
O7 K2 O4 52.63(11) . .
O7 K2 O4 72.02(15) 2_656 .
W2 K2 O4 149.22(14) 7_556 .
W2 K2 O4 111.04(14) 3_545 .
W1 K2 O4 144.95(19) 7_556 .
W1 K2 O4 67.94(13) 8 .
O7 K2 O4 72.02(15) . 2_656
O7 K2 O4 52.63(11) 2_656 2_656
W2 K2 O4 111.04(14) 7_556 2_656
W2 K2 O4 149.22(14) 3_545 2_656
W1 K2 O4 67.94(13) 7_556 2_656
W1 K2 O4 144.95(19) 8 2_656
O4 K2 O4 88.0(2) . 2_656
O7 K2 W5 167.9(8) . 3_545
O7 K2 W5 89.0(6) 2_656 3_545
W2 K2 W5 66.0(8) 7_556 3_545
W2 K2 W5 29.4(9) 3_545 3_545
W1 K2 W5 56.3(10) 7_556 3_545
W1 K2 W5 95.1(9) 8 3_545
O4 K2 W5 126.0(10) . 3_545
O4 K2 W5 119.9(9) 2_656 3_545
O7 K2 W5 89.0(7) . 7_556
O7 K2 W5 167.9(8) 2_656 7_556
W2 K2 W5 29.4(9) 7_556 7_556
W2 K2 W5 66.0(8) 3_545 7_556
W1 K2 W5 95.1(9) 7_556 7_556
W1 K2 W5 56.3(10) 8 7_556
O4 K2 W5 119.9(9) . 7_556
O4 K2 W5 126.0(10) 2_656 7_556
W5 K2 W5 82.0(13) 3_545 7_556
O7 K2 Si2 25.42(7) . .
O7 K2 Si2 86.02(17) 2_656 .
W2 K2 Si2 131.15(11) 7_556 .
W2 K2 Si2 129.48(13) 3_545 .
W1 K2 Si2 145.8(2) 7_556 .
W1 K2 Si2 69.09(11) 8 .
O4 K2 Si2 27.24(6) . .
O4 K2 Si2 77.91(15) 2_656 .
W5 K2 Si2 152.0(11) 3_545 .
W5 K2 Si2 105.7(7) 7_556 .
O7 K2 Si2 86.02(17) . 2_656
O7 K2 Si2 25.42(7) 2_656 2_656
W2 K2 Si2 129.48(13) 7_556 2_656
W2 K2 Si2 131.15(11) 3_545 2_656
W1 K2 Si2 69.09(11) 7_556 2_656
W1 K2 Si2 145.8(2) 8 2_656
O4 K2 Si2 77.91(15) . 2_656
O4 K2 Si2 27.24(6) 2_656 2_656
W5 K2 Si2 105.7(7) 3_545 2_656
W5 K2 Si2 152.0(11) 7_556 2_656
Si2 K2 Si2 80.39(14) . 2_656
O5 Si1 O2 112.05(14) . 7_556
O5 Si1 O4 110.17(16) . 8_455
O2 Si1 O4 109.53(14) 7_556 8_455
O5 Si1 O1 106.86(16) . .
O2 Si1 O1 109.99(14) 7_556 .
O4 Si1 O1 108.14(17) 8_455 .
O5 Si1 Ca1 111.65(10) . 7_556
O2 Si1 Ca1 33.76(9) 7_556 7_556
O4 Si1 Ca1 133.27(10) 8_455 7_556
O1 Si1 Ca1 78.53(11) . 7_556
O7 Si2 O3 111.27(14) . 2_657
O7 Si2 O6 111.30(19) . .
O3 Si2 O6 109.32(15) 2_657 .
O7 Si2 O4 106.88(15) . .
O3 Si2 O4 108.97(14) 2_657 .
O6 Si2 O4 109.02(17) . .
O7 Si2 K2 46.75(10) . .
O3 Si2 K2 127.36(12) 2_657 .
O6 Si2 K2 123.08(14) . .
O4 Si2 K2 60.20(10) . .
O7 Si3 O5 109.69(13) . .
O7 Si3 O3 111.12(13) . .
O5 Si3 O3 112.49(12) . .
O7 Si3 O2 113.23(12) . .
O5 Si3 O2 110.45(13) . .
O3 Si3 O2 99.59(13) . .
O7 Si3 Ca1 126.74(10) . .
O5 Si3 Ca1 123.57(11) . .
O3 Si3 Ca1 49.94(9) . .
O2 Si3 Ca1 49.66(8) . .
O7 Si3 K2 44.73(10) . .
O5 Si3 K2 77.85(13) . .
O3 Si3 K2 155.03(11) . .
O2 Si3 K2 97.51(10) . .
Ca1 Si3 K2 143.82(8) . .
Si1 O1 Si1 142.3(2) 6 .
Si1 O2 Si3 136.93(16) 7_556 .
Si1 O2 Ca1 124.78(14) 7_556 .
Si3 O2 Ca1 97.16(10) . .
Si2 O3 Si3 133.75(17) 2_657 .
Si2 O3 Ca1 127.90(13) 2_657 .
Si3 O3 Ca1 96.96(11) . .
Si1 O4 Si2 140.08(19) 8 .
Si1 O4 K2 126.24(12) 8 .
Si2 O4 K2 92.56(12) . .
Si1 O5 Si3 137.46(17) . .
Si2 O6 Si2 142.1(3) 6_565 .
Si2 O7 Si3 139.56(19) . .
Si2 O7 K2 107.83(15) . .
Si3 O7 K2 108.67(12) . .
Ca1 W1 W4 97.3(6) . .
Ca1 W1 W3 123.5(4) . 1_556
W4 W1 W3 100.2(6) . 1_556
Ca1 W1 W5 100.9(8) . 5_566
W4 W1 W5 68.2(10) . 5_566
W3 W1 W5 41.7(10) 1_556 5_566
Ca1 W1 K2 103.01(15) . 7_556
W4 W1 K2 5.9(6) . 7_556
W3 W1 K2 95.72(19) 1_556 7_556
W5 W1 K2 66.0(8) 5_566 7_556
Ca1 W1 Na2 103.01(15) . 7_556
W4 W1 Na2 5.9(6) . 7_556
W3 W1 Na2 95.72(19) 1_556 7_556
W5 W1 Na2 66.0(8) 5_566 7_556
K2 W1 Na2 0.0(2) 7_556 7_556
Ca1 W1 W1 51.98(14) . 6_565
W4 W1 W1 105.7(5) . 6_565
W3 W1 W1 71.6(4) 1_556 6_565
W5 W1 W1 58.9(6) 5_566 6_565
K2 W1 W1 107.95(16) 7_556 6_565
Na2 W1 W1 107.95(16) 7_556 6_565
Ca1 W1 W2 51.20(14) . .
W4 W1 W2 50.7(5) . .
W3 W1 W2 106.6(3) 1_556 .
W5 W1 W2 65.9(9) 5_566 .
K2 W1 W2 55.48(15) 7_556 .
Na2 W1 W2 55.48(15) 7_556 .
W1 W1 W2 61.55(10) 6_565 .
Ca1 W1 W4 103.4(5) . 2_556
W4 W1 W4 10.3(11) . 2_556
W3 W1 W4 89.9(5) 1_556 2_556
W5 W1 W4 59.2(9) 5_566 2_556
K2 W1 W4 6.8(4) 7_556 2_556
Na2 W1 W4 6.8(4) 7_556 2_556
W1 W1 W4 102.7(3) 6_565 2_556
W2 W1 W4 53.9(4) . 2_556
Ca1 W1 W3 103.5(3) . 5_566
W4 W1 W3 104.1(6) . 5_566
W3 W1 W3 20.0(6) 1_556 5_566
W5 W1 W3 36.6(9) 5_566 5_566
K2 W1 W3 101.16(19) 7_556 5_566
Na2 W1 W3 101.16(19) 7_556 5_566
W1 W1 W3 51.5(3) 6_565 5_566
W2 W1 W3 93.7(2) . 5_566
W4 W1 W3 94.5(5) 2_556 5_566
W5 W2 Ca1 156(2) . .
W5 W2 W4 93.0(12) . 6_565
Ca1 W2 W4 98.2(6) . 6_565
W5 W2 W4 93.0(12) . .
Ca1 W2 W4 98.2(6) . .
W4 W2 W4 122.6(13) 6_565 .
W5 W2 Na2 87.7(11) . 7_556
Ca1 W2 Na2 104.48(14) . 7_556
W4 W2 Na2 119.5(7) 6_565 7_556
W4 W2 Na2 6.4(6) . 7_556
W5 W2 K2 87.7(11) . 7_556
Ca1 W2 K2 104.48(14) . 7_556
W4 W2 K2 119.5(7) 6_565 7_556
W4 W2 K2 6.4(6) . 7_556
Na2 W2 K2 0.0 7_556 7_556
W5 W2 Na2 87.7(11) . 3_455
Ca1 W2 Na2 104.48(14) . 3_455
W4 W2 Na2 6.4(6) 6_565 3_455
W4 W2 Na2 119.5(7) . 3_455
Na2 W2 Na2 115.8(3) 7_556 3_455
K2 W2 Na2 115.8(3) 7_556 3_455
W5 W2 K2 87.7(11) . 3_455
Ca1 W2 K2 104.48(14) . 3_455
W4 W2 K2 6.4(6) 6_565 3_455
W4 W2 K2 119.5(7) . 3_455
Na2 W2 K2 115.8(3) 7_556 3_455
K2 W2 K2 115.8(3) 7_556 3_455
Na2 W2 K2 0.0 3_455 3_455
W5 W2 W4 82.8(15) . 2_556
Ca1 W2 W4 111.7(5) . 2_556
W4 W2 W4 112.1(6) 6_565 2_556
W4 W2 W4 15.0(9) . 2_556
Na2 W2 W4 8.9(4) 7_556 2_556
K2 W2 W4 8.9(4) 7_556 2_556
Na2 W2 W4 108.0(5) 3_455 2_556
K2 W2 W4 108.0(5) 3_455 2_556
W5 W2 W4 82.8(15) . 5_566
Ca1 W2 W4 111.7(5) . 5_566
W4 W2 W4 15.0(9) 6_565 5_566
W4 W2 W4 112.1(6) . 5_566
Na2 W2 W4 108.0(5) 7_556 5_566
K2 W2 W4 108.0(5) 7_556 5_566
Na2 W2 W4 8.9(4) 3_455 5_566
K2 W2 W4 8.9(4) 3_455 5_566
W4 W2 W4 99.9(9) 2_556 5_566
W5 W2 W2 86(2) . 5_566
Ca1 W2 W2 118.1(3) . 5_566
W4 W2 W2 61.9(6) 6_565 5_566
W4 W2 W2 61.9(6) . 5_566
Na2 W2 W2 57.88(14) 7_556 5_566
K2 W2 W2 57.88(14) 7_556 5_566
Na2 W2 W2 57.88(14) 3_455 5_566
K2 W2 W2 57.88(14) 3_455 5_566
W4 W2 W2 50.3(5) 2_556 5_566
W4 W2 W2 50.3(5) 5_566 5_566
W3 W3 W5 72.5(6) 5_565 .
W3 W3 W5 72.5(6) 5_565 5_565
W5 W3 W5 144.9(13) . 5_565
W3 W3 W1 108.4(4) 5_565 1_554
W5 W3 W1 120.1(17) . 1_554
W5 W3 W1 71.9(15) 5_565 1_554
W3 W3 W1 108.4(4) 5_565 2_556
W5 W3 W1 71.9(15) . 2_556
W5 W3 W1 120.1(17) 5_565 2_556
W1 W3 W1 143.1(7) 1_554 2_556
W3 W3 W1 51.5(3) 5_565 6_564
W5 W3 W1 98.5(13) . 6_564
W5 W3 W1 58.5(14) 5_565 6_564
W1 W3 W1 56.89(19) 1_554 6_564
W1 W3 W1 160.0(6) 2_556 6_564
W3 W3 W1 51.5(3) 5_565 5_566
W5 W3 W1 58.5(15) . 5_566
W5 W3 W1 98.5(13) 5_565 5_566
W1 W3 W1 160.0(6) 1_554 5_566
W1 W3 W1 56.89(19) 2_556 5_566
W1 W3 W1 103.1(5) 6_564 5_566
W3 W3 W2 80.0(3) 5_565 .
W5 W3 W2 9.6(12) . .
W5 W3 W2 151.8(10) 5_565 .
W1 W3 W2 112.54(15) 1_554 .
W1 W3 W2 74.12(14) 2_556 .
W1 W3 W2 99.4(3) 6_564 .
W1 W3 W2 67.7(2) 5_566 .
W3 W3 W2 80.0(3) 5_565 5_565
W5 W3 W2 151.8(10) . 5_565
W5 W3 W2 9.6(12) 5_565 5_565
W1 W3 W2 74.12(14) 1_554 5_565
W1 W3 W2 112.54(15) 2_556 5_565
W1 W3 W2 67.7(2) 6_564 5_565
W1 W3 W2 99.4(3) 5_566 5_565
W2 W3 W2 160.0(6) . 5_565
W3 W3 K2 114.9(2) 5_565 7
W5 W3 K2 162.7(16) . 7
W5 W3 K2 45.5(7) 5_565 7
W1 W3 K2 43.47(14) 1_554 7
W1 W3 K2 117.4(4) 2_556 7
W1 W3 K2 76.84(10) 6_564 7
W1 W3 K2 138.67(16) 5_566 7
W2 W3 K2 153.6(3) . 7
W2 W3 K2 41.43(11) 5_565 7
W3 W3 K2 114.9(2) 5_565 7_556
W5 W3 K2 45.5(7) . 7_556
W5 W3 K2 162.7(16) 5_565 7_556
W1 W3 K2 117.4(4) 1_554 7_556
W1 W3 K2 43.47(14) 2_556 7_556
W1 W3 K2 138.67(16) 6_564 7_556
W1 W3 K2 76.84(10) 5_566 7_556
W2 W3 K2 41.43(11) . 7_556
W2 W3 K2 153.6(3) 5_565 7_556
K2 W3 K2 130.2(5) 7 7_556
Na2 W4 K2 0.0(15) 7_556 7_556
Na2 W4 W4 27(3) 7_556 2_556
K2 W4 W4 27(3) 7_556 2_556
Na2 W4 W2 135(4) 7_556 .
K2 W4 W2 135(4) 7_556 .
W4 W4 W2 109.9(15) 2_556 .
Na2 W4 W1 137(4) 7_556 .
K2 W4 W1 137(4) 7_556 .
W4 W4 W1 134(4) 2_556 .
W2 W4 W1 75.9(6) . .
Na2 W4 W2 81(4) 7_556 5_566
K2 W4 W2 81(4) 7_556 5_566
W4 W4 W2 55.1(14) 2_556 5_566
W2 W4 W2 67.9(6) . 5_566
W1 W4 W2 89.4(7) . 5_566
Na2 W4 W5 107(4) 7_556 .
K2 W4 W5 107(4) 7_556 .
W4 W4 W5 88(3) 2_556 .
W2 W4 W5 31.1(9) . .
W1 W4 W5 107.0(11) . .
W2 W4 W5 67.8(10) 5_566 .
Na2 W4 W5 98(4) 7_556 5_566
K2 W4 W5 98(4) 7_556 5_566
W4 W4 W5 78(3) 2_556 5_566
W2 W4 W5 71.1(9) . 5_566
W1 W4 W5 60.5(11) . 5_566
W2 W4 W5 30.1(10) 5_566 5_566
W5 W4 W5 86.2(14) . 5_566
Na2 W4 W1 52(3) 7_556 2_556
K2 W4 W1 52(3) 7_556 2_556
W4 W4 W1 36(3) 2_556 2_556
W2 W4 W1 84.1(6) . 2_556
W1 W4 W1 149.9(8) . 2_556
W2 W4 W1 62.0(5) 5_566 2_556
W5 W4 W1 55.5(11) . 2_556
W5 W4 W1 92.0(12) 5_566 2_556
Na2 W4 Ca1 170(4) 7_556 .
K2 W4 Ca1 170(4) 7_556 .
W4 W4 Ca1 144.0(7) 2_556 .
W2 W4 Ca1 40.7(3) . .
W1 W4 Ca1 39.6(3) . .
W2 W4 Ca1 89.6(5) 5_566 .
W5 W4 Ca1 70.5(11) . .
W5 W4 Ca1 72.9(11) 5_566 .
W1 W4 Ca1 124.8(6) 2_556 .
W2 W5 W3 158(2) . .
W2 W5 W3 158(2) . 5_565
W3 W5 W3 35.1(13) . 5_565
W2 W5 W1 116(2) . 2_556
W3 W5 W1 66.5(14) . 2_556
W3 W5 W1 84.9(18) 5_565 2_556
W2 W5 W1 116(2) . 5_566
W3 W5 W1 84.9(18) . 5_566
W3 W5 W1 66.5(14) 5_565 5_566
W1 W5 W1 62.1(12) 2_556 5_566
W2 W5 W4 55.9(11) . 6_565
W3 W5 W4 145.9(18) . 6_565
W3 W5 W4 112.9(9) 5_565 6_565
W1 W5 W4 109.5(18) 2_556 6_565
W1 W5 W4 65.3(9) 5_566 6_565
W2 W5 W4 55.9(11) . .
W3 W5 W4 112.9(9) . .
W3 W5 W4 145.9(18) 5_565 .
W1 W5 W4 65.3(9) 2_556 .
W1 W5 W4 109.5(18) 5_566 .
W4 W5 W4 93.3(16) 6_565 .
W2 W5 W4 67.1(13) . 5_566
W3 W5 W4 135(2) . 5_566
W3 W5 W4 106.2(12) 5_565 5_566
W1 W5 W4 96.2(17) 2_556 5_566
W1 W5 W4 51.3(8) 5_566 5_566
W4 W5 W4 14.8(9) 6_565 5_566
W4 W5 W4 93.8(14) . 5_566
W2 W5 W4 67.1(13) . 2_556
W3 W5 W4 106.2(12) . 2_556
W3 W5 W4 135(2) 5_565 2_556
W1 W5 W4 51.3(8) 2_556 2_556
W1 W5 W4 96.2(17) 5_566 2_556
W4 W5 W4 93.8(14) 6_565 2_556
W4 W5 W4 14.8(9) . 2_556
W4 W5 W4 90.6(16) 5_566 2_556
W2 W5 K2 62.9(11) . 7_556
W3 W5 K2 107.5(9) . 7_556
W3 W5 K2 139.1(18) 5_565 7_556
W1 W5 K2 57.7(7) 2_556 7_556
W1 W5 K2 104.1(17) 5_566 7_556
W4 W5 K2 96.1(14) 6_565 7_556
W4 W5 K2 7.7(4) . 7_556
W4 W5 K2 94.7(14) 5_566 7_556
W4 W5 K2 8.0(4) 2_556 7_556
W2 W5 Na2 62.9(11) . 7_556
W3 W5 Na2 107.5(9) . 7_556
W3 W5 Na2 139.1(18) 5_565 7_556
W1 W5 Na2 57.7(7) 2_556 7_556
W1 W5 Na2 104.1(17) 5_566 7_556
W4 W5 Na2 96.1(14) 6_565 7_556
W4 W5 Na2 7.7(4) . 7_556
W4 W5 Na2 94.7(14) 5_566 7_556
W4 W5 Na2 8.0(4) 2_556 7_556
K2 W5 Na2 0.00(16) 7_556 7_556
W2 W5 Na2 62.9(11) . 3_455
W3 W5 Na2 139.1(18) . 3_455
W3 W5 Na2 107.5(9) 5_565 3_455
W1 W5 Na2 104.1(17) 2_556 3_455
W1 W5 Na2 57.7(7) 5_566 3_455
W4 W5 Na2 7.7(4) 6_565 3_455
W4 W5 Na2 96.1(14) . 3_455
W4 W5 Na2 8.0(4) 5_566 3_455
W4 W5 Na2 94.7(14) 2_556 3_455
K2 W5 Na2 98.0(13) 7_556 3_455
Na2 W5 Na2 98.0(13) 7_556 3_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 W1 2.370(4) .
Ca1 W1 2.370(4) 6_565
Ca1 W2 2.431(6) .
Ca1 O2 2.447(3) .
Ca1 O2 2.447(3) 6_565
Ca1 O3 2.456(3) 6_565
Ca1 O3 2.456(3) .
Ca1 Al3 3.1856(16) 6_565
Ca1 Si3 3.1856(16) 6_565
Ca1 Si3 3.1856(15) .
Ca1 Si1 3.6168(14) 7_556
K2 O7 2.717(5) .
K2 O7 2.717(5) 2_656
K2 W2 2.769(7) 7_556
K2 W2 2.769(7) 3_545
K2 W1 2.873(5) 7_556
K2 W1 2.873(5) 8
K2 O4 3.084(5) .
K2 O4 3.084(5) 2_656
K2 W5 3.11(3) 3_545
K2 W5 3.11(3) 7_556
K2 Si2 3.551(5) .
K2 Si2 3.551(5) 2_656
Si1 O5 1.610(3) .
Si1 O2 1.611(2) 7_556
Si1 O4 1.619(3) 8_455
Si1 O1 1.6294(15) .
Si1 Ca1 3.6168(14) 7_556
Si2 O7 1.601(3) .
Si2 O3 1.616(2) 2_657
Si2 O6 1.6196(17) .
Si2 O4 1.627(3) .
Si3 O7 1.728(3) .
Si3 O5 1.734(3) .
Si3 O3 1.752(2) .
Si3 O2 1.757(3) .
O1 Si1 1.6294(15) 6
O2 Si1 1.611(2) 7_556
O3 Si2 1.616(2) 2_657
O4 Si1 1.619(3) 8
O6 Si2 1.6196(17) 6_565
W1 W4 2.54(2) .
W1 W3 2.730(8) 1_556
W1 W5 2.83(5) 5_566
W1 K2 2.873(5) 7_556
W1 Na2 2.873(5) 7_556
W1 W1 2.920(10) 6_565
W1 W2 3.065(6) .
W1 W4 3.12(2) 2_556
W1 W3 3.307(12) 5_566
W2 W5 1.53(5) .
W2 W4 2.45(2) 6_565
W2 W4 2.45(2) .
W2 Na2 2.769(7) 7_556
W2 K2 2.769(7) 7_556
W2 Na2 2.769(7) 3_455
W2 K2 2.769(7) 3_455
W2 W4 2.80(2) 2_556
W2 W4 2.80(2) 5_566
W2 W2 2.945(13) 5_566
W3 W3 1.19(4) 5_565
W3 W5 1.98(4) .
W3 W5 1.98(4) 5_565
W3 W1 2.730(8) 1_554
W3 W1 2.730(8) 2_556
W3 W1 3.307(12) 6_564
W3 W1 3.307(12) 5_566
W3 W2 3.441(6) 5_565
W3 K2 4.156(8) 7
W3 K2 4.156(8) 7_556
W4 Na2 0.43(2) 7_556
W4 K2 0.43(2) 7_556
W4 W4 0.77(5) 2_556
W4 W2 2.80(2) 5_566
W4 W5 2.95(4) .
W4 W5 3.02(4) 5_566
W4 W1 3.12(2) 2_556
W5 W3 1.98(4) 5_565
W5 W1 2.83(5) 2_556
W5 W1 2.83(5) 5_566
W5 W4 2.95(4) 6_565
W5 W4 3.02(4) 5_566
W5 W4 3.02(4) 2_556
W5 K2 3.11(3) 7_556
W5 Na2 3.11(3) 7_556
W5 Na2 3.11(3) 3_455
