A tetragonal polymorph of caesium hydroxide monohydrate, CsOH·H~2~O, from X-ray powder data
Černý, Radovan; Favre-Nicolin, Vincent; Bertheville, Bernard; Acta Crystallographica Section C 58 (2002) i31–i32; doi:10.1107/S0108270101021928

data_2012559
_publ_section_title
;
 A tetragonal polymorph of caesium hydroxide monohydrate,
 CsOH&#x00B7;H~2~O, from X-ray powder data
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i31
_journal_page_last               i32
_journal_paper_doi               10.1107/S0108270101021928
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Cs O H , H2 O'
_chemical_formula_moiety         'Cs H O , H2 O'
_chemical_formula_structural     'Cs O H , H2 O'
_chemical_formula_sum            'Cs H3 O2'
_chemical_formula_weight         167.93
_chemical_name_systematic
;
Caesium hydroxide monohydrate
;
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.38088(4)
_cell_length_b                   4.38088(4)
_cell_length_c                   15.46525(17)
_cell_measurement_reflns_used    109
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.3
_cell_volume                     296.811(5)
_computing_cell_refinement       'FULLPROF98 (Rodr\'iguez-Carvajal, 1998)'
_computing_data_collection       'Please give details'
_computing_data_reduction        FULLPROF98
_computing_molecular_graphics    'ATOMS (Dowty, 1993)'
_computing_publication_material
'WinPLOTR (Roisnel & Rodr\'iguez-Carvajal, 1998) and ATOMS'
_computing_structure_refinement  FULLPROF98
_computing_structure_solution    'FOX (Favre-Nicolin & \<Cern\'y, 2002)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'two-axis goniometer'
_diffrn_radiation_monochromator  'channel-cut Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .48562
_exptl_absorpt_coefficient_mu    24.21
_exptl_crystal_density_diffrn    3.785(2)
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             332
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.28
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     14
_refine_ls_shift/su_max          .01
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w = 1/Y~i~'
_refine_ls_weighting_scheme      calc
_cod_data_source_file            br1352.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/Y~i~' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/Y~i~'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               2012559