Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~
Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej; Acta Crystallographica Section B 65 (2009) 326–333; doi:10.1107/S010876810901444X

data_2104360
_publ_section_title
;
 Characterization of the pressure-induced second-order phase transition
 in the mixed-valence vanadate BaV~6~O~11~
;
_journal_coeditor_code           EB5003
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              326
_journal_page_last               333
_journal_paper_doi               10.1107/S010876810901444X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'Ba O11 V6'
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_chemical_name_common            Bariumvandate
_chemical_name_systematic        ' ?'
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_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
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_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.763(3)
_cell_length_b                   5.763(3)
_cell_length_c                   13.206(4)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      3.08
_cell_volume                     379.8(3)
_computing_cell_refinement       X-Area
_computing_data_collection       X-Area
_computing_data_reduction        'Jana2006, Absorb V6.1'
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.86
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -6
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'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
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_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_shift/su_max          0.0008
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
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_reflns_threshold_expression     I>3\s(I)
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_cod_original_sg_symbol_Hall     'P 6c;-2c'
_cod_original_formula_sum        'Ba1 O11 V6'
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