Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Michiue, Yuichi; Acta Crystallographica, Section B 63 (2007) 577–583; doi:10.1107/S0108768107023531

data_2102867
_publ_section_title
; Probability density analyses of guest ions in hollandite
  A~x~Mg~x/2~Ti~8-x/2~O~16~  (A=K, Rb)
;
_journal_coeditor_code           AV5085
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              577
_journal_page_last               583
_journal_paper_doi               10.1107/S0108768107023531
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Mg0.75 O16 Rb1.51 Ti7.25'
_chemical_formula_weight         750.1
_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_H-M   'I 4/m'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   10.2052(7)
_cell_length_c                   2.9717(6)
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_cell_measurement_temperature    298
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_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
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_diffrn_reflns_theta_max         49.94
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_diffrn_standards_decay_%        4.72
_diffrn_standards_interval_count 200
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_exptl_absorpt_coefficient_mu    10.463
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'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_shift/su_mean         0.0035
_refine_ls_structure_factor_coef Fsqd
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_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                623
_reflns_number_total             912
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            av5085.cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Analytical' changed to
'analytical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2102867