#------------------------------------------------------------------------------
#$Date: 2017-11-18 00:59:29 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203299 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548104.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_1548104
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 H31.08 K1.03 Na1.44 O63.54 Si16.07'
_chemical_formula_weight         1896.11
_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                 110.205(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.813(3)
_cell_length_b                   13.1377(19)
_cell_length_c                   7.5143(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1372.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_pressure         570(50)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.439
_diffrn_measured_fraction_theta_max 0.439
_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  0.0693
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6485
_diffrn_reflns_theta_full        31.14
_diffrn_reflns_theta_max         31.14
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.993
_exptl_crystal_density_diffrn    2.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             957
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1011
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0457
_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)+(0.0707P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                682
_reflns_number_total             1011
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg_062_lau_abs_out.cif
_cod_data_source_block           shelxl
_cod_original_formula_sum
'H31.08 Al7.93 Ca2.73 K1.03 Na1.44 O63.54 Si16.07'
_cod_database_code               1548104
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 0.23924(13) 0.5000 0.7677(2) 0.0226(5) Uani 0.68 2 d SP . .
Na1 Na 0.23924(13) 0.5000 0.7677(2) 0.0226(5) Uani 0.32 2 d SP . .
K2 K 0.5000 0.1745(8) 0.5000 0.023(2) Uani 0.26 2 d SP . .
Na2 Na 0.5000 0.1745(8) 0.5000 0.023(2) Uani 0.04 2 d SP . .
Si1 Si 0.23600(10) 0.11754(11) 0.64950(16) 0.0143(4) Uani 1 1 d . . .
Si2 Si 0.57699(10) 0.38344(12) 0.81969(17) 0.0147(4) Uani 1 1 d . . .
Si3 Si 0.36919(12) 0.30771(12) 0.76568(17) 0.0152(4) Uani 0.01 1 d P . .
Al3 Al 0.36919(12) 0.30771(12) 0.76568(17) 0.0152(4) Uani 0.99 1 d P . .
O1 O 0.2582(3) 0.0000 0.7216(6) 0.0148(12) Uani 1 2 d S . .
O2 O 0.2892(2) 0.3764(3) 0.5773(4) 0.0175(9) Uani 1 1 d . . .
O3 O 0.3602(3) 0.3789(3) 0.9564(4) 0.0200(9) Uani 1 1 d . . .
O4 O 0.6442(2) 0.3444(3) 0.7007(4) 0.0199(9) Uani 1 1 d . . .
O5 O 0.3291(2) 0.1831(3) 0.7645(4) 0.0204(9) Uani 1 1 d . . .
O6 O 0.5440(4) 0.5000 0.7599(6) 0.0202(12) Uani 1 2 d S . .
O7 O 0.4855(3) 0.3089(3) 0.7660(4) 0.0206(10) Uani 1 1 d . . .
W1 O 0.1393(4) 0.3862(4) 0.8579(6) 0.062(2) Uani 0.882(9) 1 d P . .
W2 O 0.0996(5) 0.5000 0.4781(9) 0.038(3) Uani 0.812(14) 2 d SP . .
W3 O 0.0000 0.467(2) 0.0000 0.160(14) Uiso 0.489(17) 2 d SP . .
W4 O 0.014(4) 0.3358(18) 0.505(7) 0.070(10) Uiso 0.304(9) 1 d P . .
W5 O 0.049(6) 0.5000 0.286(11) 0.23(5) Uiso 0.21(3) 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 78.6(3) . 6_565
W1 Ca1 W2 80.41(18) . .
W1 Ca1 W2 80.41(18) 6_565 .
W1 Ca1 O2 95.39(16) . .
W1 Ca1 O2 159.37(17) 6_565 .
W2 Ca1 O2 79.13(15) . .
W1 Ca1 O2 159.37(17) . 6_565
W1 Ca1 O2 95.39(16) 6_565 6_565
W2 Ca1 O2 79.13(15) . 6_565
O2 Ca1 O2 83.35(16) . 6_565
W1 Ca1 O3 130.62(14) . 6_565
W1 Ca1 O3 80.11(18) 6_565 6_565
W2 Ca1 O3 138.12(9) . 6_565
O2 Ca1 O3 117.51(13) . 6_565
O2 Ca1 O3 66.29(10) 6_565 6_565
W1 Ca1 O3 80.11(18) . .
W1 Ca1 O3 130.62(14) 6_565 .
W2 Ca1 O3 138.12(9) . .
O2 Ca1 O3 66.29(10) . .
O2 Ca1 O3 117.51(13) 6_565 .
O3 Ca1 O3 81.05(17) 6_565 .
W1 Ca1 Al3 160.89(14) . 6_565
W1 Ca1 Al3 86.49(16) 6_565 6_565
W2 Ca1 Al3 108.96(10) . 6_565
O2 Ca1 Al3 102.65(10) . 6_565
O2 Ca1 Al3 33.10(8) 6_565 6_565
O3 Ca1 Al3 33.21(7) 6_565 6_565
O3 Ca1 Al3 101.30(11) . 6_565
W1 Ca1 Si3 160.89(14) . 6_565
W1 Ca1 Si3 86.49(16) 6_565 6_565
W2 Ca1 Si3 108.96(10) . 6_565
O2 Ca1 Si3 102.65(10) . 6_565
O2 Ca1 Si3 33.10(8) 6_565 6_565
O3 Ca1 Si3 33.21(7) 6_565 6_565
O3 Ca1 Si3 101.30(11) . 6_565
Al3 Ca1 Si3 0.00(6) 6_565 6_565
W1 Ca1 Si3 86.49(16) . .
W1 Ca1 Si3 160.89(14) 6_565 .
W2 Ca1 Si3 108.96(10) . .
O2 Ca1 Si3 33.10(8) . .
O2 Ca1 Si3 102.65(10) 6_565 .
O3 Ca1 Si3 101.30(11) 6_565 .
O3 Ca1 Si3 33.21(7) . .
Al3 Ca1 Si3 105.23(8) 6_565 .
Si3 Ca1 Si3 105.23(8) 6_565 .
W1 Ca1 Si1 103.83(13) . 7_556
W1 Ca1 Si1 141.11(13) 6_565 7_556
W2 Ca1 Si1 62.24(15) . 7_556
O2 Ca1 Si1 21.31(8) . 7_556
O2 Ca1 Si1 68.58(8) 6_565 7_556
O3 Ca1 Si1 120.33(9) 6_565 7_556
O3 Ca1 Si1 87.22(8) . 7_556
Al3 Ca1 Si1 95.28(5) 6_565 7_556
Si3 Ca1 Si1 95.28(5) 6_565 7_556
Si3 Ca1 Si1 54.20(4) . 7_556
O7 K2 O7 99.4(3) . 2_656
O7 K2 W2 108.31(16) . 7_556
O7 K2 W2 139.38(19) 2_656 7_556
O7 K2 W2 139.38(19) . 3_545
O7 K2 W2 108.31(16) 2_656 3_545
W2 K2 W2 67.8(3) 7_556 3_545
O7 K2 W1 130.6(2) . 7_556
O7 K2 W1 72.98(13) 2_656 7_556
W2 K2 W1 66.5(2) 7_556 7_556
W2 K2 W1 86.6(3) 3_545 7_556
O7 K2 W1 72.98(13) . 8
O7 K2 W1 130.6(2) 2_656 8
W2 K2 W1 86.6(3) 7_556 8
W2 K2 W1 66.5(2) 3_545 8
W1 K2 W1 147.9(5) 7_556 8
O7 K2 W5 166.3(14) . 3_545
O7 K2 W5 90.4(11) 2_656 3_545
W2 K2 W5 68.6(12) 7_556 3_545
W2 K2 W5 26.9(14) 3_545 3_545
W1 K2 W5 61.5(15) 7_556 3_545
W1 K2 W5 93.4(15) 8 3_545
O7 K2 W5 90.4(11) . 7_556
O7 K2 W5 166.3(14) 2_656 7_556
W2 K2 W5 26.9(14) 7_556 7_556
W2 K2 W5 68.6(12) 3_545 7_556
W1 K2 W5 93.4(15) 7_556 7_556
W1 K2 W5 61.5(15) 8 7_556
W5 K2 W5 82(2) 3_545 7_556
O7 K2 O4 52.62(16) . .
O7 K2 O4 71.0(2) 2_656 .
W2 K2 O4 149.53(17) 7_556 .
W2 K2 O4 109.53(15) 3_545 .
W1 K2 O4 143.6(3) 7_556 .
W1 K2 O4 66.02(16) 8 .
W5 K2 O4 123.4(14) 3_545 .
W5 K2 O4 122.6(14) 7_556 .
O7 K2 O4 71.0(2) . 2_656
O7 K2 O4 52.62(16) 2_656 2_656
W2 K2 O4 109.53(15) 7_556 2_656
W2 K2 O4 149.53(17) 3_545 2_656
W1 K2 O4 66.02(16) 7_556 2_656
W1 K2 O4 143.6(3) 8 2_656
W5 K2 O4 122.6(14) 3_545 2_656
W5 K2 O4 123.4(14) 7_556 2_656
O4 K2 O4 87.8(3) . 2_656
O7 K2 Si2 25.41(10) . .
O7 K2 Si2 84.7(3) 2_656 .
W2 K2 Si2 130.69(13) 7_556 .
W2 K2 Si2 128.76(14) 3_545 .
W1 K2 Si2 143.3(3) 7_556 .
W1 K2 Si2 67.95(15) 8 .
W5 K2 Si2 149.3(15) 3_545 .
W5 K2 Si2 107.8(12) 7_556 .
O4 K2 Si2 27.24(9) . .
O4 K2 Si2 77.3(2) 2_656 .
O7 K2 Si2 84.7(3) . 2_656
O7 K2 Si2 25.41(10) 2_656 2_656
W2 K2 Si2 128.76(14) 7_556 2_656
W2 K2 Si2 130.69(13) 3_545 2_656
W1 K2 Si2 67.95(14) 7_556 2_656
W1 K2 Si2 143.3(3) 8 2_656
W5 K2 Si2 107.8(12) 3_545 2_656
W5 K2 Si2 149.3(15) 7_556 2_656
O4 K2 Si2 77.3(2) . 2_656
O4 K2 Si2 27.24(9) 2_656 2_656
Si2 K2 Si2 79.3(2) . 2_656
O5 Si1 O4 110.1(2) . 8_455
O5 Si1 O2 112.61(18) . 7_556
O4 Si1 O2 109.21(18) 8_455 7_556
O5 Si1 O1 107.0(2) . .
O4 Si1 O1 107.7(2) 8_455 .
O2 Si1 O1 110.1(2) 7_556 .
O5 Si1 Ca1 111.70(13) . 7_556
O4 Si1 Ca1 133.06(13) 8_455 7_556
O2 Si1 Ca1 33.32(13) 7_556 7_556
O1 Si1 Ca1 79.35(14) . 7_556
O7 Si2 O3 111.75(18) . 2_657
O7 Si2 O6 111.0(2) . .
O3 Si2 O6 109.4(2) 2_657 .
O7 Si2 O4 107.0(2) . .
O3 Si2 O4 108.51(18) 2_657 .
O6 Si2 O4 109.1(2) . .
O7 Si2 K2 46.81(14) . .
O3 Si2 K2 127.39(17) 2_657 .
O6 Si2 K2 122.98(19) . .
O4 Si2 K2 60.20(13) . .
O7 Si3 O5 110.33(19) . .
O7 Si3 O2 113.20(17) . .
O5 Si3 O2 110.27(18) . .
O7 Si3 O3 110.63(17) . .
O5 Si3 O3 112.56(17) . .
O2 Si3 O3 99.49(17) . .
O7 Si3 Ca1 126.87(15) . .
O5 Si3 Ca1 122.79(14) . .
O2 Si3 Ca1 49.65(11) . .
O3 Si3 Ca1 49.88(12) . .
O7 Si3 K2 44.70(14) . .
O5 Si3 K2 77.98(18) . .
O2 Si3 K2 98.21(13) . .
O3 Si3 K2 154.37(14) . .
Ca1 Si3 K2 144.65(12) . .
Si1 O1 Si1 142.2(3) 6 .
Si1 O2 Si3 136.4(2) 7_556 .
Si1 O2 Ca1 125.37(19) 7_556 .
Si3 O2 Ca1 97.25(13) . .
Si2 O3 Si3 133.7(2) 2_657 .
Si2 O3 Ca1 128.36(18) 2_657 .
Si3 O3 Ca1 96.91(14) . .
Si1 O4 Si2 139.1(3) 8 .
Si1 O4 K2 127.08(16) 8 .
Si2 O4 K2 92.56(16) . .
Si1 O5 Si3 137.5(2) . .
Si2 O6 Si2 141.3(3) 6_565 .
Si2 O7 Si3 139.7(3) . .
Si2 O7 K2 107.78(19) . .
Si3 O7 K2 108.95(16) . .
Ca1 W1 W4 99.1(10) . .
Ca1 W1 W3 118.6(6) . 1_556
W4 W1 W3 96.7(11) . 1_556
Ca1 W1 Na2 103.01(19) . 7_556
W4 W1 Na2 3.9(10) . 7_556
W3 W1 Na2 94.3(2) 1_556 7_556
Ca1 W1 K2 103.01(19) . 7_556
W4 W1 K2 3.9(10) . 7_556
W3 W1 K2 94.3(2) 1_556 7_556
Na2 W1 K2 0.0(4) 7_556 7_556
Ca1 W1 W4 103.5(9) . 2_556
W4 W1 W4 7(2) . 2_556
W3 W1 W4 90.3(10) 1_556 2_556
Na2 W1 W4 4.4(8) 7_556 2_556
K2 W1 W4 4.4(8) 7_556 2_556
Ca1 W1 W1 50.72(16) . 6_565
W4 W1 W1 104.0(6) . 6_565
W3 W1 W1 67.9(6) 1_556 6_565
Na2 W1 W1 106.1(2) 7_556 6_565
K2 W1 W1 106.1(2) 7_556 6_565
W4 W1 W1 102.9(5) 2_556 6_565
Ca1 W1 W5 100.2(10) . 5_566
W4 W1 W5 62.5(15) . 5_566
W3 W1 W5 41.1(14) 1_556 5_566
Na2 W1 W5 61.7(12) 7_556 5_566
K2 W1 W5 61.7(12) 7_556 5_566
W4 W1 W5 57.3(14) 2_556 5_566
W1 W1 W5 60.3(8) 6_565 5_566
Ca1 W1 W2 50.76(15) . .
W4 W1 W2 51.3(8) . .
W3 W1 W2 103.5(4) 1_556 .
Na2 W1 W2 54.9(2) 7_556 .
K2 W1 W2 54.9(2) 7_556 .
W4 W1 W2 54.3(8) 2_556 .
W1 W1 W2 61.09(12) 6_565 .
W5 W1 W2 64.7(13) 5_566 .
Ca1 W1 W3 104.5(5) . 5_566
W4 W1 W3 99.5(10) . 5_566
W3 W1 W3 14.1(11) 1_556 5_566
Na2 W1 W3 98.0(2) 7_556 5_566
K2 W1 W3 98.0(2) 7_556 5_566
W4 W1 W3 93.6(9) 2_556 5_566
W1 W1 W3 53.8(5) 6_565 5_566
W5 W1 W3 38.1(14) 5_566 5_566
W2 W1 W3 94.4(4) . 5_566
W5 W2 Ca1 158(3) . .
W5 W2 W4 89(2) . .
Ca1 W2 W4 102.8(11) . .
W5 W2 W4 89(2) . 6_565
Ca1 W2 W4 102.8(11) . 6_565
W4 W2 W4 116(2) . 6_565
W5 W2 Na2 87.5(19) . 7_556
Ca1 W2 Na2 104.68(17) . 7_556
W4 W2 Na2 2.2(11) . 7_556
W4 W2 Na2 114.0(11) 6_565 7_556
W5 W2 K2 87.5(19) . 7_556
Ca1 W2 K2 104.68(17) . 7_556
W4 W2 K2 2.2(11) . 7_556
W4 W2 K2 114.0(11) 6_565 7_556
Na2 W2 K2 0.0 7_556 7_556
W5 W2 Na2 87.5(18) . 3_455
Ca1 W2 Na2 104.68(17) . 3_455
W4 W2 Na2 114.0(11) . 3_455
W4 W2 Na2 2.2(11) 6_565 3_455
Na2 W2 Na2 112.2(3) 7_556 3_455
K2 W2 Na2 112.2(3) 7_556 3_455
W5 W2 K2 87.5(18) . 3_455
Ca1 W2 K2 104.68(17) . 3_455
W4 W2 K2 114.0(11) . 3_455
W4 W2 K2 2.2(11) 6_565 3_455
Na2 W2 K2 112.2(3) 7_556 3_455
K2 W2 K2 112.2(3) 7_556 3_455
Na2 W2 K2 0.0 3_455 3_455
W5 W2 W4 86(2) . 2_556
Ca1 W2 W4 107.6(10) . 2_556
W4 W2 W4 7.0(18) . 2_556
W4 W2 W4 109.2(7) 6_565 2_556
Na2 W2 W4 4.9(9) 7_556 2_556
K2 W2 W4 4.9(9) 7_556 2_556
Na2 W2 W4 107.4(9) 3_455 2_556
K2 W2 W4 107.4(9) 3_455 2_556
W5 W2 W4 86(2) . 5_566
Ca1 W2 W4 107.6(10) . 5_566
W4 W2 W4 109.2(7) . 5_566
W4 W2 W4 7.0(18) 6_565 5_566
Na2 W2 W4 107.4(9) 7_556 5_566
K2 W2 W4 107.4(9) 7_556 5_566
Na2 W2 W4 4.9(9) 3_455 5_566
K2 W2 W4 4.9(9) 3_455 5_566
W4 W2 W4 102.6(18) 2_556 5_566
W5 W2 W2 85(3) . 5_566
Ca1 W2 W2 117.0(3) . 5_566
W4 W2 W2 57.9(11) . 5_566
W4 W2 W2 57.9(11) 6_565 5_566
Na2 W2 W2 56.10(17) 7_556 5_566
K2 W2 W2 56.10(17) 7_556 5_566
Na2 W2 W2 56.10(17) 3_455 5_566
K2 W2 W2 56.10(17) 3_455 5_566
W4 W2 W2 51.3(9) 2_556 5_566
W4 W2 W2 51.3(9) 5_566 5_566
W3 W3 W5 78.0(10) 5_565 .
W3 W3 W5 78.0(10) 5_565 5_565
W5 W3 W5 156(2) . 5_565
W3 W3 W1 112.1(6) 5_565 2_556
W5 W3 W1 74.2(19) . 2_556
W5 W3 W1 115(2) 5_565 2_556
W3 W3 W1 112.1(6) 5_565 1_554
W5 W3 W1 115(2) . 1_554
W5 W3 W1 74.2(19) 5_565 1_554
W1 W3 W1 135.9(12) 2_556 1_554
W3 W3 W1 53.8(5) 5_565 6_564
W5 W3 W1 100.5(18) . 6_564
W5 W3 W1 64.7(19) 5_565 6_564
W1 W3 W1 165.9(11) 2_556 6_564
W1 W3 W1 58.3(2) 1_554 6_564
W3 W3 W1 53.8(5) 5_565 5_566
W5 W3 W1 64.7(19) . 5_566
W5 W3 W1 100.5(18) 5_565 5_566
W1 W3 W1 58.3(2) 2_556 5_566
W1 W3 W1 165.9(11) 1_554 5_566
W1 W3 W1 107.6(9) 6_564 5_566
W3 W3 W2 82.8(5) 5_565 .
W5 W3 W2 6.4(16) . .
W5 W3 W2 160.3(16) 5_565 .
W1 W3 W2 75.95(16) 2_556 .
W1 W3 W2 109.7(2) 1_554 .
W1 W3 W2 100.3(5) 6_564 .
W1 W3 W2 70.9(3) 5_566 .
W3 W3 W2 82.8(5) 5_565 5_565
W5 W3 W2 160.3(16) . 5_565
W5 W3 W2 6.4(16) 5_565 5_565
W1 W3 W2 109.7(2) 2_556 5_565
W1 W3 W2 75.95(16) 1_554 5_565
W1 W3 W2 70.9(3) 6_564 5_565
W1 W3 W2 100.3(5) 5_566 5_565
W2 W3 W2 165.5(11) . 5_565
W3 W3 K2 116.4(4) 5_565 7
W5 W3 K2 156.4(19) . 7
W5 W3 K2 43.0(11) 5_565 7
W1 W3 K2 113.3(7) 2_556 7
W1 W3 K2 43.2(2) 1_554 7
W1 W3 K2 76.89(13) 6_564 7
W1 W3 K2 138.73(19) 5_566 7
W2 W3 K2 150.1(6) . 7
W2 W3 K2 41.00(18) 5_565 7
W3 W3 K2 116.4(4) 5_565 7_556
W5 W3 K2 43.0(11) . 7_556
W5 W3 K2 156.4(19) 5_565 7_556
W1 W3 K2 43.2(2) 2_556 7_556
W1 W3 K2 113.3(7) 1_554 7_556
W1 W3 K2 138.73(19) 6_564 7_556
W1 W3 K2 76.89(13) 5_566 7_556
W2 W3 K2 41.00(18) . 7_556
W2 W3 K2 150.1(6) 5_565 7_556
K2 W3 K2 127.2(8) 7 7_556
Na2 W4 K2 0(4) 7_556 7_556
Na2 W4 W4 35(10) 7_556 2_556
K2 W4 W4 35(10) 7_556 2_556
Na2 W4 W2 154(10) 7_556 .
K2 W4 W2 154(10) 7_556 .
W4 W4 W2 120(3) 2_556 .
Na2 W4 W1 124(10) 7_556 .
K2 W4 W1 124(10) 7_556 .
W4 W4 W1 121(10) 2_556 .
W2 W4 W1 71.5(10) . .
Na2 W4 W2 87(10) 7_556 5_566
K2 W4 W2 87(10) 7_556 5_566
W4 W4 W2 53(3) 2_556 5_566
W2 W4 W2 70.8(7) . 5_566
W1 W4 W2 89.3(12) . 5_566
Na2 W4 W5 131(10) 7_556 .
K2 W4 W5 131(10) 7_556 .
W4 W4 W5 106(10) 2_556 .
W2 W4 W5 28.6(15) . .
W1 W4 W5 100.1(19) . .
W2 W4 W5 71.0(15) 5_566 .
Na2 W4 W1 68(10) 7_556 2_556
K2 W4 W1 68(10) 7_556 2_556
W4 W4 W1 53(10) 2_556 2_556
W2 W4 W1 88.9(12) . 2_556
W1 W4 W1 152.3(11) . 2_556
W2 W4 W1 65.3(9) 5_566 2_556
W5 W4 W1 62.5(19) . 2_556
Na2 W4 W5 95(10) 7_556 5_566
K2 W4 W5 95(10) 7_556 5_566
W4 W4 W5 67(10) 2_556 5_566
W2 W4 W5 71.8(13) . 5_566
W1 W4 W5 63.3(18) . 5_566
W2 W4 W5 27.2(15) 5_566 5_566
W5 W4 W5 85(2) . 5_566
W1 W4 W5 92.4(19) 2_556 5_566
Na2 W4 Ca1 160(10) 7_556 .
K2 W4 Ca1 160(10) 7_556 .
W4 W4 Ca1 139(9) 2_556 .
W2 W4 Ca1 37.5(7) . .
W1 W4 Ca1 36.8(5) . .
W2 W4 Ca1 88.4(8) 5_566 .
W5 W4 Ca1 65.1(17) . .
W1 W4 Ca1 126.4(10) 2_556 .
W5 W4 Ca1 72.8(16) 5_566 .
W2 W5 W3 164(4) . .
W2 W5 W3 164(4) . 5_565
W3 W5 W3 24(2) . 5_565
W2 W5 W4 63(2) . 6_565
W3 W5 W4 133(3) . 6_565
W3 W5 W4 111.8(19) 5_565 6_565
W2 W5 W4 63(2) . .
W3 W5 W4 111.8(19) . .
W3 W5 W4 133(3) 5_565 .
W4 W5 W4 97(3) 6_565 .
W2 W5 W4 67(2) . 2_556
W3 W5 W4 109(2) . 2_556
W3 W5 W4 129(3) 5_565 2_556
W4 W5 W4 95(2) 6_565 2_556
W4 W5 W4 7.2(18) . 2_556
W2 W5 W4 67(2) . 5_566
W3 W5 W4 129(3) . 5_566
W3 W5 W4 109(2) 5_565 5_566
W4 W5 W4 7.2(18) 6_565 5_566
W4 W5 W4 95(2) . 5_566
W4 W5 W4 92(3) 2_556 5_566
W2 W5 W1 118(3) . 2_556
W3 W5 W1 64.7(19) . 2_556
W3 W5 W1 77(2) 5_565 2_556
W4 W5 W1 104(3) 6_565 2_556
W4 W5 W1 60.2(14) . 2_556
W4 W5 W1 54.1(14) 2_556 2_556
W4 W5 W1 97(2) 5_566 2_556
W2 W5 W1 118(3) . 5_566
W3 W5 W1 77(2) . 5_566
W3 W5 W1 64.7(19) 5_565 5_566
W4 W5 W1 60.2(14) 6_565 5_566
W4 W5 W1 104(3) . 5_566
W4 W5 W1 97(2) 2_556 5_566
W4 W5 W1 54.1(14) 5_566 5_566
W1 W5 W1 59.3(16) 2_556 5_566
W2 W5 K2 65.6(19) . 3_455
W3 W5 K2 130(3) . 3_455
W3 W5 K2 109.3(17) 5_565 3_455
W4 W5 K2 3.4(10) 6_565 3_455
W4 W5 K2 98(2) . 3_455
W4 W5 K2 95(2) 2_556 3_455
W4 W5 K2 4.5(9) 5_566 3_455
W1 W5 K2 102(2) 2_556 3_455
W1 W5 K2 56.8(10) 5_566 3_455
W2 W5 Na2 65.6(19) . 3_455
W3 W5 Na2 130(3) . 3_455
W3 W5 Na2 109.3(17) 5_565 3_455
W4 W5 Na2 3.4(10) 6_565 3_455
W4 W5 Na2 98(2) . 3_455
W4 W5 Na2 95(2) 2_556 3_455
W4 W5 Na2 4.5(9) 5_566 3_455
W1 W5 Na2 102(2) 2_556 3_455
W1 W5 Na2 56.8(10) 5_566 3_455
K2 W5 Na2 0.0 3_455 3_455
W2 W5 Na2 65.6(19) . 7_556
W3 W5 Na2 109.3(17) . 7_556
W3 W5 Na2 130(3) 5_565 7_556
W4 W5 Na2 98(2) 6_565 7_556
W4 W5 Na2 3.4(10) . 7_556
W4 W5 Na2 4.5(9) 2_556 7_556
W4 W5 Na2 95(2) 5_566 7_556
W1 W5 Na2 56.8(10) 2_556 7_556
W1 W5 Na2 102(2) 5_566 7_556
K2 W5 Na2 98(2) 3_455 7_556
Na2 W5 Na2 98(2) 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 2.362(5) .
Ca1 W1 2.362(5) 6_565
Ca1 W2 2.430(7) .
Ca1 O2 2.442(3) .
Ca1 O2 2.442(3) 6_565
Ca1 O3 2.449(4) 6_565
Ca1 O3 2.449(4) .
Ca1 Al3 3.179(2) 6_565
Ca1 Si3 3.179(2) 6_565
Ca1 Si3 3.179(2) .
Ca1 Si1 3.6254(18) 7_556
K2 O7 2.730(7) .
K2 O7 2.730(7) 2_656
K2 W2 2.762(9) 7_556
K2 W2 2.762(9) 3_545
K2 W1 2.880(5) 7_556
K2 W1 2.880(5) 8
K2 W5 3.03(5) 3_545
K2 W5 3.03(5) 7_556
K2 O4 3.097(8) .
K2 O4 3.097(8) 2_656
K2 Si2 3.566(8) .
K2 Si2 3.566(8) 2_656
Si1 O5 1.603(4) .
Si1 O4 1.615(3) 8_455
Si1 O2 1.616(3) 7_556
Si1 O1 1.632(2) .
Si1 Ca1 3.6254(18) 7_556
Si2 O7 1.607(4) .
Si2 O3 1.619(3) 2_657
Si2 O6 1.623(2) .
Si2 O4 1.633(3) .
Si3 O7 1.722(4) .
Si3 O5 1.740(4) .
Si3 O2 1.750(4) .
Si3 O3 1.754(3) .
O1 Si1 1.632(2) 6
O2 Si1 1.616(3) 7_556
O3 Si2 1.619(3) 2_657
O4 Si1 1.615(3) 8
O6 Si2 1.623(2) 6_565
W1 W4 2.74(5) .
W1 W3 2.839(14) 1_556
W1 Na2 2.880(5) 7_556
W1 K2 2.880(5) 7_556
W1 W4 2.96(5) 2_556
W1 W1 2.991(12) 6_565
W1 W5 3.02(7) 5_566
W1 W2 3.094(7) .
W1 W3 3.26(2) 5_566
W2 W5 1.37(8) .
W2 W4 2.55(3) .
W2 W4 2.55(3) 6_565
W2 Na2 2.762(9) 7_556
W2 K2 2.762(9) 7_556
W2 Na2 2.762(9) 3_455
W2 K2 2.762(9) 3_455
W2 W4 2.76(4) 2_556
W2 W4 2.76(4) 5_566
W2 W2 3.081(14) 5_566
W3 W3 0.86(6) 5_565
W3 W5 2.06(8) .
W3 W5 2.06(8) 5_565
W3 W1 2.839(14) 2_556
W3 W1 2.839(14) 1_554
W3 W1 3.26(2) 6_564
W3 W1 3.26(2) 5_566
W3 W2 3.407(8) 5_565
W3 K2 4.194(15) 7
W3 K2 4.194(15) 7_556
W4 Na2 0.24(4) 7_556
W4 K2 0.24(4) 7_556
W4 W4 0.39(10) 2_556
W4 W2 2.76(4) 5_566
W4 W5 2.87(6) .
W4 W1 2.96(5) 2_556
W4 W5 3.00(7) 5_566
W5 W3 2.06(8) 5_565
W5 W4 2.87(6) 6_565
W5 W4 3.00(7) 2_556
W5 W4 3.00(7) 5_566
W5 W1 3.02(7) 2_556
W5 W1 3.02(7) 5_566
W5 K2 3.03(5) 3_455
W5 Na2 3.03(5) 3_455
W5 Na2 3.03(5) 7_556
