LMucko/crystallography-open-database huggingface dataset:
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura; To be published  () –; doi:

data_3000031
_publ_section_title
;

 Observation of quadrupole helix chirality and its domain structure in

 DyFe3(BO3)4

;
_journal_name_full               'To be published'
_chemical_formula_sum            'B4 Dy Fe3 O12'
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_length_a                   9.5280(2)
_cell_length_b                   9.5280(2)
_cell_length_c                   7.5462(5)
_cell_measurement_temperature    293(2)
_cell_volume                     593.28(4)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.51898
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0614
_cod_database_code               3000031
_cod_hold_until_date             2014-04-19
Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes
Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer; Inorganica Chimica Acta 394 (2013) 526–534; doi:10.1016/j.ica.2012.08.022

data_1512784
_publ_section_title
;
 Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone
 in copper(II) complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              526
_journal_page_last               534
_journal_paper_doi               10.1016/j.ica.2012.08.022
_journal_volume                  394
_journal_year                    2013
_chemical_compound_source        'see text'
_chemical_formula_sum            'C25 H25.26 Cu N6 O7.63'
_chemical_formula_weight         595.389
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.713(7)
_cell_angle_beta                 81.211(6)
_cell_angle_gamma                74.883(6)
_cell_formula_units_Z            2
_cell_length_a                   7.0382(4)
_cell_length_b                   11.8525(9)
_cell_length_c                   16.5558(14)
_cell_measurement_temperature    173
_cell_volume                     1268.81(17)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.922
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             612
_cod_data_source_file            ICA-2013-394-526-534-1.cif
_cod_data_source_block           oo096
_cod_original_cell_volume        1268.82(17)
_cod_database_code               1512784
Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes
Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer; Inorganica Chimica Acta 394 (2013) 526–534; doi:10.1016/j.ica.2012.08.022

data_1512785
_publ_section_title
;
 Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone
 in copper(II) complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              526
_journal_page_last               534
_journal_paper_doi               10.1016/j.ica.2012.08.022
_journal_volume                  394
_journal_year                    2013
_chemical_compound_source        'see text'
_chemical_formula_sum            'C37 H32 Cu2 N8 O11'
_chemical_formula_weight         891.81
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.5000(11)
_cell_angle_beta                 77.3459(11)
_cell_angle_gamma                85.3559(8)
_cell_formula_units_Z            2
_cell_length_a                   7.8990(1)
_cell_length_b                   14.0172(3)
_cell_length_c                   17.3344(3)
_cell_measurement_temperature    173
_cell_volume                     1812.34(6)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.249
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             912
_cod_data_source_file            ICA-2013-394-526-534-2.cif
_cod_data_source_block           on317
_cod_database_code               1512785
Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes
Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer; Inorganica Chimica Acta 394 (2013) 526–534; doi:10.1016/j.ica.2012.08.022

data_1512786
_publ_section_title
;
 Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone
 in copper(II) complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              526
_journal_page_last               534
_journal_paper_doi               10.1016/j.ica.2012.08.022
_journal_volume                  394
_journal_year                    2013
_chemical_compound_source        'see text'
_chemical_formula_sum            'C18 H13 Cu N5 O7'
_chemical_formula_weight         474.871
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.5965(19)
_cell_angle_beta                 106.734(2)
_cell_angle_gamma                107.0989(19)
_cell_formula_units_Z            6
_cell_length_a                   13.1801(5)
_cell_length_b                   15.1750(6)
_cell_length_c                   16.0452(6)
_cell_measurement_temperature    173
_cell_volume                     2686.3(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.278
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1446
_cod_data_source_file            ICA-2013-394-526-534-3.cif
_cod_data_source_block           on319
_cod_depositor_comments
;

2019-04-29
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z    1
_cod_database_code               1512786
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.; Acta Crystallographica Section B 54 (1998) 121–128; doi:10.1107/S0108768197011956

data_2105522
_publ_section_title
;
 Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~
 as a Function of Temperature
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              121
_journal_page_last               128
_journal_paper_doi               10.1107/S0108768197011956
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'K2 Pt Cl6'
_chemical_formula_sum            'Cl6 K2 Pt'
_chemical_formula_weight         486.004
_chemical_name_systematic        'Potassium hexachloroplatinate(IV)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.6654(3)
_cell_length_b                   9.6654(3)
_cell_length_c                   9.6654(3)
_cell_measurement_temperature    22
_cell_volume                     902.94(5)
_computing_cell_refinement       FullProf
_computing_structure_refinement  FullProf
_diffrn_ambient_temperature      22
_diffrn_measurement_device       'DMC at PSI'
_diffrn_radiation_monochromator  'Ge (5 1 1)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'Paul Scherrer Institute, Saphir reactor'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0863(2)
_exptl_absorpt_coefficient_mu    0.0489
_exptl_absorpt_correction_T_max  0.699
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
linear absorption coefficient measured by a
neutron transmission experiment
;
_refine_ls_goodness_of_fit_all   1.41
_refine_ls_number_parameters     6
_cod_data_source_file            ab0382.cif
_cod_data_source_block           p22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value '22K' was changed to '22' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        902.94(8)
_cod_original_formula_sum        'K2 Pt Cl6'
_cod_database_code               2105522
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.; Acta Crystallographica Section B 54 (1998) 121–128; doi:10.1107/S0108768197011956

data_2105523
_publ_section_title
;
 Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~
 as a Function of Temperature
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              121
_journal_page_last               128
_journal_paper_doi               10.1107/S0108768197011956
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'K2 Pt Cl6'
_chemical_formula_sum            'Cl6 K2 Pt'
_chemical_formula_weight         486.004
_chemical_name_systematic        'Potassium hexachloroplatinate(IV)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.7537(5)
_cell_length_b                   9.7537(5)
_cell_length_c                   9.7537(5)
_cell_measurement_temperature    295
_cell_volume                     927.91(8)
_computing_cell_refinement       FullProf
_computing_structure_refinement  FullProf
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'DMC at PSI'
_diffrn_radiation_monochromator  'Ge (5 1 1)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'Paul Scherrer Institute, Saphir reactor'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0863(2)
_exptl_absorpt_coefficient_mu    0.0489
_exptl_absorpt_correction_T_max  0.699
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
linear absorption coefficient measured by a
neutron transmission experiment
;
_refine_ls_goodness_of_fit_all   1.42
_refine_ls_number_parameters     6
_cod_data_source_file            ab0382.cif
_cod_data_source_block           p295
_cod_original_cell_volume        927.91(14)
_cod_original_formula_sum        'K2 Pt Cl6'
_cod_database_code               2105523
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.; Acta Crystallographica Section B 54 (1998) 121–128; doi:10.1107/S0108768197011956

data_2105526
_publ_section_title
;
 Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~
 as a Function of Temperature
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              121
_journal_page_last               128
_journal_paper_doi               10.1107/S0108768197011956
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'K2 Pt Cl6'
_chemical_formula_sum            'Cl6 K2 Pt'
_chemical_formula_weight         486.004
_chemical_name_systematic        'Potassium hexachloroplatinate(IV)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.6911(7)
_cell_length_b                   9.6911(7)
_cell_length_c                   9.6911(7)
_cell_measurement_temperature    120
_cell_volume                     910.16(11)
_diffrn_ambient_temperature      120
_diffrn_radiation_type           xray_tube
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_number            2897
_diffrn_reflns_theta_max         40.2
_refine_ls_matrix_type           full
_refine_ls_number_parameters     5
_refine_ls_number_reflns         343
_refine_ls_R_factor_all          0.016
_refine_ls_R_factor_obs          0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.021
_refine_ls_wR_factor_obs         0.021
_cod_data_source_file            ab0382.cif
_cod_data_source_block           TOSS1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        910.2(2)
_cod_original_formula_sum        'K2 Pt Cl6'
_cod_database_code               2105526
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.; Acta Crystallographica Section B 54 (1998) 121–128; doi:10.1107/S0108768197011956

data_2105527
_publ_section_title
;
 Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~
 as a Function of Temperature
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              121
_journal_page_last               128
_journal_paper_doi               10.1107/S0108768197011956
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'K2 Pt Cl6'
_chemical_formula_sum            'Cl6 K2 Pt'
_chemical_formula_weight         486.004
_chemical_name_systematic        'Potassium hexachloroplatinate(IV)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.6862(3)
_cell_length_b                   9.6862(3)
_cell_length_c                   9.6862(3)
_cell_measurement_temperature    120
_cell_volume                     908.78(5)
_diffrn_ambient_temperature      120
_diffrn_radiation_type           xray_tube
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_number            5109
_diffrn_reflns_theta_max         60.0
_refine_ls_matrix_type           full
_refine_ls_number_parameters     5
_refine_ls_number_reflns         403
_refine_ls_R_factor_all          0.011
_refine_ls_R_factor_obs          0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.015
_refine_ls_wR_factor_obs         0.015
_cod_data_source_file            ab0382.cif
_cod_data_source_block           TOSS2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=(\s^2^(Fo^2^)+(0.05(Fo^2^)^2^)^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        908.78(8)
_cod_original_formula_sum        'K2 Pt Cl6'
_cod_database_code               2105527
Investigation into the Crystal Structure of the Perovskite Lead Hafnate, PbHfO~3~
Corker, D. L.; Glazer, A. M.; Kaminsky, W.; Whatmore, R. W.; Dec, J.; Roleder, K.; Acta Crystallographica Section B 54 (1998) 18–28; doi:10.1107/S0108768197009208

data_2105549
_publ_section_title
;
 Investigation into the Crystal Structure of the Perovskite Lead Hafnate,
 PbHfO~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               28
_journal_paper_doi               10.1107/S0108768197009208
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Hf O3 Pb'
_chemical_formula_weight         433.68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   5.8582(3)
_cell_length_b                   11.7224(5)
_cell_length_c                   8.2246(3)
_cell_volume                     564.80(4)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.90788
_exptl_absorpt_coefficient_mu    0.153
_exptl_crystal_density_diffrn    10.20
_cod_data_source_file            bm0011.cif
_cod_data_source_block           bm0011b
_cod_original_cell_volume        564.80
_cod_original_formula_sum        'Pb1 Hf1 O3'
_cod_database_code               2105549
Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a new representative of the V~6~O~14~ series
Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley; Acta Crystallographica Section B 55 (1999) 953–962; doi:10.1107/S0108768199005467

data_2105554
_publ_section_title
;
 Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a
 new representative of the V~6~O~14~ series
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              953
_journal_page_last               962
_journal_paper_doi               10.1107/S0108768199005467
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '(N H2 C H2 C H2 N H2)2 Ni V6 O14'
_chemical_formula_moiety         'C4 H16 N4 Ni O14 V6'
_chemical_formula_sum            'C4 H16 N4 Ni O14 V6'
_chemical_formula_weight         708.59
_chemical_name_systematic
' bis-ethylenediamine nickel hexavanadium tetradecaoxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.610(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.862(2)
_cell_length_b                   17.127(2)
_cell_length_c                   6.6270(8)
_cell_volume                     1884.9(4)
_exptl_crystal_density_diffrn    2.497
_exptl_crystal_F_000             1384
_cod_data_source_file            br0079.cif
_cod_data_source_block           Ordered-en2NiV6O14
_cod_original_cell_volume        1884.9(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2105554
Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~
Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex C.; Acta Crystallographica Section B 55 (1999) 683–697; doi:10.1107/S0108768199004103

data_2105555
_publ_section_title
;
 Total neutron diffraction: a route to the correct local structure of
 disordered LaMo~2~O~5~ and its application to the model compound
 Zn~2~Mo~3~O~8~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              683
_journal_page_last               697
_journal_paper_doi               10.1107/S0108768199004103
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'La Mo2 O5'
_chemical_formula_sum            'La Mo2 O5'
_chemical_formula_weight         410.79
_chemical_name_systematic        'lanthanum molybdenum oxide'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   8.3680(7)
_cell_length_b                   8.3680(7)
_cell_length_c                   19.13687(4)
_cell_measurement_reflns_used    312
_cell_measurement_temperature    18
_cell_volume                     1160.50(14)
_computing_cell_refinement
;
TF12LS (David et al., 1992)
;
_computing_structure_refinement
;
TF12LS (David et al., 1992)
;
_diffrn_ambient_temperature      18
_diffrn_measurement_device       'Lad tof neutron'
_diffrn_measurement_method       'time of flight neutron diffraction'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     time-of-flight
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            312
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Black
_exptl_crystal_description       powder
_refine_ls_extinction_method     none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_number_reflns         312
_refine_ls_R_factor_all          .056
_refine_ls_shift/esd_mean        .08
_refine_ls_shift/su_max          .25
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w = 1/[Y~i~]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .048
_cod_data_source_file            br0083.cif
_cod_data_source_block           lamo2o5

_cod_original_cell_volume        1160.50(10)
_cod_database_code               2105555