The modulated structure of the calcium aluminate Ca~6~(AlO~2~)~12~·Bi~2~O~3~
Pérez, O.; Malo, S.; Hervieu, M.; Acta Crystallographica Section B 66 (2010) 585–593; doi:10.1107/S0108768110035792

data_2104860
_publ_section_title
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 The modulated structure of the calcium aluminate
 Ca~6~(AlO~2~)~12~&#x00B7;Bi~2~O~3~
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_journal_coeditor_code           SN5097
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              585
_journal_page_last               593
_journal_paper_doi               10.1107/S0108768110035792
_journal_volume                  66
_journal_year                    2010
_chemical_formula_sum            'Al12 Bi2 Ca6 O27'
_chemical_formula_weight         1414.2
_chemical_name_systematic        ' ?'
_space_group_ssg_name            X-3(00\g)0
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_cell_length_b                   17.3892(16)
_cell_length_c                   6.9860(6)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      20
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_cell_modulation_dimension       1
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_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
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'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
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_diffrn_measurement_device       'four-cycle diffractometer'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1974
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'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_shift/su_max          0.0335
_refine_ls_shift/su_mean         0.0019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0451
_refine_ls_wR_factor_ref         0.0464
_reflns_number_gt                5668
_reflns_number_total             7371
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            sn5097.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
according to '../cif_core.dic' dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1534 2011-01-05 14:08:14Z adriana 
;
_cod_database_code               2104860
_cod_database_fobs_code          2104860