Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K
da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes; Acta Crystallographica Section C 61 (2005) i113–i116; doi:10.1107/S010827010503249X

data_2015122
_publ_section_title
;
 Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from
 room temperature to 1.5K
;
_journal_coeditor_code           FA1150
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i113
_journal_page_last               i116
_journal_paper_doi               10.1107/S010827010503249X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Tl2 Be F4'
_chemical_formula_moiety         'Tl2 Be F4'
_chemical_formula_sum            'Be F4 Tl2'
_chemical_formula_weight         493.77
_chemical_name_systematic
;
Thallium Fluoroberyllate
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   7.7238(2)
_cell_length_b                   5.90226(17)
_cell_length_c                   10.4499(3)
_cell_measurement_temperature    300
_cell_volume                     476.39(2)
_computing_cell_refinement       'FULLPROF (Rodr\'iguez-Carvajal, 2005)'
_computing_molecular_graphics    'Diamond (Brandenburg & Berndt, 1999)'
_computing_publication_material  FULLPROF
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  '3T2 Line'
_diffrn_radiation_monochromator  'Ge 335'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2251
_exptl_crystal_density_diffrn    6.884
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_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     35
_refine_ls_number_reflns         934
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0552
_refine_ls_shift/su_max          0.01
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            fa1150.cif
_cod_data_source_block           I_300K
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2015122