LMucko/crystallography-open-database huggingface dataset:
Synthesis, Structure, and Characterization of the Hexagonal Provskite Ba5In0.93Mn4O14.40
Yin, Congling; Li, Guobao; Jin, Tounan; You, Liping; Tao, Julian; Richardson, James W.; Loong, Chun-K.; Sun, Junliang; Liao, Fuhui; Lin, Jianhua; Chemistry of Materials 20 (2008) 2110–; doi:10.1021/cm7025152

data_4001103
_publ_section_title
;
 Synthesis, Structure, and Characterization of the Hexagonal Provskite
 Ba5In0.93Mn4O14.40
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2110
_journal_paper_doi               10.1021/cm7025152
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Ba5 In0.94 Mn4 O14.42'
_chemical_formula_weight         1245.43
_chemical_name_systematic        ' ?'
_space_group_IT_number           194
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   5.738938(32)
_cell_length_b                   5.738938
_cell_length_c                   23.64154(15)
_cell_volume                     674.325(6)
_pd_block_id                     2007-03-31T14:49|P63MMC6_phase1|inmn4||
_pd_phase_name                   p63/mmc
_cod_data_source_file            cm7025152-file003.cif
_cod_data_source_block           P63MMC6_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (138
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (1089 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        674.32544
_cod_database_code               4001103
Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate
Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.; Chemistry of Materials 20 (2008) 2026–; doi:10.1021/cm703079d

data_4001112
_publ_section_title
;
 Synthesis and Characterization of a New Family of Mixed
 Oxide&#x2212;Proton Conductors Based on Tristrontium Oxysilicate
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2026
_journal_paper_doi               10.1021/cm703079d
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'O5 Si Sr3'
_chemical_formula_weight         370.94
_chemical_name_systematic        ' ?'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_audit_creation_date             2007-09-13T18:31
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2007-09-13T18:31  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.951343(33)
_cell_length_b                   6.951343
_cell_length_c                   10.76111(6)
_cell_volume                     519.989(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2007-09-13T18:31|Sr3SiO5|Aranda_MAG|Sr3SiO5
_pd_phase_name
'from C:/Rietveld/Jose_Manuel/Serie_SrSi(Al)/Sr3SiO5/Sintesis_2/SR3'
_refine_ls_goodness_of_fit_all   2.27
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            cm703079d-file001.cif
_cod_data_source_block           Sr3SiO5_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (65
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (315 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        519.990(7)
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               4001112
Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate
Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.; Chemistry of Materials 20 (2008) 2026–; doi:10.1021/cm703079d

data_4001113
_publ_section_title
;
 Synthesis and Characterization of a New Family of Mixed
 Oxide&#x2212;Proton Conductors Based on Tristrontium Oxysilicate
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2026
_journal_paper_doi               10.1021/cm703079d
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Al0.04 O4.98 Si0.96 Sr3'
_chemical_formula_weight         370.59
_chemical_name_systematic        ' ?'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.94270(14)
_cell_length_b                   6.9427
_cell_length_c                   10.79916(25)
_cell_volume                     520.531(16)
_pd_block_id
2007-09-13T18:13|Sr3Si09Al01O495_RT_phase1|Aranda_MAG||
_pd_phase_name
'from C:/Rietveld/Jose_Manuel/Serie_SrSi(Al)/Sr3SiO5/Sintesis_5/SRS'
_cod_data_source_file            cm703079d-file002.cif
_cod_data_source_block           Sr3Si09Al01O495_RT_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (84
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (487 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        520.530(30)
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               4001113
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001115
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     'Sr 1 Mn 1 O 2.6'
_chemical_formula_sum            'Mn5 O13 Sr5'
_chemical_formula_weight         920.78
_space_group_IT_number           83
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4'
_symmetry_space_group_name_H-M   'P 4/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   8.61468(16)
_cell_length_b                   8.61468
_cell_length_c                   3.81019(16)
_cell_measurement_temperature    293(2)
_cell_volume                     282.765(13)
_pd_phase_name                   'Sr5Mn5O13+d, oT'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           SrMnO2.702-RT_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (101
time).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (737 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        282.764(13)
_cod_database_code               4001115
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001116
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     'Sr 1 Mn 1 O 2.80'
_chemical_formula_sum            'Mn7 O19.62 Sr7'
_chemical_formula_weight         1311.78
_space_group_IT_number           10
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2'
_symmetry_space_group_name_H-M   'P 1 1 2/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                98.1793(29)
_cell_formula_units_Z            1
_cell_length_a                   8.6209(5)
_cell_length_b                   12.1263(4)
_cell_length_c                   3.80910(17)
_cell_measurement_temperature    298(2)
_cell_volume                     394.15(3)
_pd_phase_name                   'Sr7Mn7O19+d, oM'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           SrMnO2.702-RT_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (232
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (1695 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        394.151(25)
_cod_database_code               4001116
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001117
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     ' Sr 4.5 La 0.5 Mn 5 O 13.70'
_chemical_formula_sum            'La0.5 Mn5 O13.7 Sr4.5'
_chemical_formula_weight         957.60
_space_group_IT_number           83
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4'
_symmetry_space_group_name_H-M   'P 4/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   8.60611(11)
_cell_length_b                   8.60611
_cell_length_c                   3.83812(7)
_cell_measurement_temperature    293(2)
_cell_volume                     284.271(6)
_pd_phase_name                   '(La0.1Sr0.9)5Mn5O13, oT, Sr5Mn5O13 type'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           (L1S9)5M5O13+d-RT_phase1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (222
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (1077 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        284.271(9)
_cod_original_sg_symbol_Hall     '- P 4'
_cod_original_formula_sum        'La0.50 Mn5 O13.70 Sr4.50'
_cod_database_code               4001117
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001118
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     'Sr 0.8 La 0.2 Mn 1 O 2.858'
_chemical_formula_sum            'La0.2 Mn O2.86 Sr0.8'
_chemical_formula_weight         198.54
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.8430(5)
_cell_length_b                   3.843
_cell_length_c                   3.843
_cell_measurement_temperature    293(2)
_cell_volume                     56.756(7)
_pd_phase_name                   'La0.2Sr0.8MnO2.858, dC'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           (L2S8)MO2.858_RTphase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (96
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (589 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        56.757(20)
_cod_original_formula_sum        'La0.20 Mn O2.86 Sr0.80'
_cod_database_code               4001118
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001119
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     ' Sr 4.5 La 0.5 Mn 5 O 13'
_chemical_formula_sum            'La0.5 Mn5 O13 Sr4.5'
_chemical_formula_weight         946.42
_space_group_IT_number           83
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4'
_symmetry_space_group_name_H-M   'P 4/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   8.6810(18)
_cell_length_b                   8.681
_cell_length_c                   3.8585(8)
_cell_measurement_temperature    773(5)
_cell_volume                     290.78(9)
_pd_phase_name                   '(La0.1Sr0.9)5Mn5O13, oT, Sr5Mn5O13 type'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           (L1S9)5M5O13-500_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (206
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (1113 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        290.78(18)
_cod_original_sg_symbol_Hall     '- P 4'
_cod_original_formula_sum        'La0.50 Mn5 O13 Sr4.50'
_cod_database_code               4001119
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001120
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     'Sr 3.6 La 0.4 Mn 4 O 10.2'
_chemical_formula_sum            'La0.4 Mn4 O10.2 Sr3.6'
_chemical_formula_weight         753.94
_space_group_IT_number           55
_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            1
_cell_length_a                   5.5786(16)
_cell_length_b                   10.9046(32)
_cell_length_c                   3.8684(11)
_cell_measurement_temperature    773(5)
_cell_volume                     235.32(12)
_pd_phase_name                   '(La0.1Sr0.9)2Mn2O5.1, oO', Sr2Mn2O5 type'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           (L1S9)2M2O5.1-500_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (125
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (520 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        235.32(20)
_cod_original_sg_symbol_Hall     '- P 2 2ab'
_cod_original_formula_sum        'La0.40 Mn4 O10.20 Sr3.60'
_cod_database_code               4001120
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.; Chemistry of Materials 20 (2008) 1636–; doi:10.1021/cm703139c

data_4001121
_publ_section_title
;
 Oxygen Ordered Phases in LaxSr1&#x2212;xMnOy(0 &#x2264;x&#x2264; 0.2, 2.5
 &#x2264; y &#x2264; 3): An In situ Neutron Powder Diffraction Study
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1636
_journal_paper_doi               10.1021/cm703139c
_journal_volume                  20
_journal_year                    2008
_chemical_formula_structural     ' Sr 3.6 La 0.4 Mn 4 O 10'
_chemical_formula_sum            'La0.2 Mn2 O5 Sr1.8'
_chemical_formula_weight         375.37
_space_group_IT_number           55
_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            2
_cell_length_a                   5.5902(10)
_cell_length_b                   10.8814(19)
_cell_length_c                   3.8793(7)
_cell_measurement_temperature    773(5)
_cell_volume                     235.97(7)
_pd_phase_name                   '(La0.1Sr0.9)2Mn2O5, oO, Sr2Mn2O5 type'
_cod_data_source_file            cm703139c-file003.cif
_cod_data_source_block           (L1S9)2M2O5-500_phase1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (110
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (515 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        235.98(12)
_cod_original_formula_sum        'La0.20 Mn2 O5 Sr1.80'
_cod_database_code               4001121