Structure of calcinaksite KNa[Ca(H~2~O)][Si~4~O~l0~], the first hydrous member of the litidionite group of silicates with [Si~8~O~20~]^8{-^} tubes
Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Chukanov, Nikita V.; Kolitsch, Uwe; Acta Crystallographica Section B 70 (2014) 768–775; doi:10.1107/S2052520614012992

data_2105959
_publ_section_title
;
 Structure of calcinaksite KNa[Ca(H~2~O)][Si~4~O~l0~], the first hydrous
 member of the litidionite group of silicates with [Si~8~O~20~]^8{-^}
 tubes
;
_journal_coeditor_code           BP5069
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              768
_journal_page_last               775
_journal_paper_doi               10.1107/S2052520614012992
_journal_volume                  70
_journal_year                    2014
_chemical_formula_sum            'Ca K Na O11 Si4'
_chemical_formula_weight         392.5
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_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                102.23(2)
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_cell_formula_units_Z            2
_cell_length_a                   7.021(2)
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_cell_length_c                   10.145(2)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      57.37
_cell_measurement_theta_min      4.31
_cell_volume                     495.4(3)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_diffrn_ambient_temperature      293
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_diffrn_measured_fraction_theta_max 0.79
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0725
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_diffrn_reflns_theta_max         57.55
_diffrn_reflns_theta_min         4.32
_exptl_absorpt_coefficient_mu    1.623
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_exptl_absorpt_correction_T_min  0.737
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_refine_diff_density_min         -0.51
_refine_ls_extinction_coef       -11E2(4)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_number_constraints    0
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_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.0474
_refine_ls_shift/su_mean         0.0086
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0025000002F^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0752
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            bp5069sup1.cf
_cod_data_source_block           I
_cod_original_formula_sum        'Ca1 K1 Na1 O11 Si4'
_cod_database_code               2105959
_cod_database_fobs_code          2105959