LMucko/crystallography-open-database huggingface dataset:
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001303
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mo O4 Sr'
_chemical_formula_weight         247.56
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.3954(4)
_cell_length_b                   5.3954
_cell_length_c                   12.0264(18)
_cell_volume                     350.09(6)
_pd_block_id
2006-10-06T09:51|I1BAR_NEUTRON_BS_FIN_phase2|JBC||
_pd_phase_name                   'from C:/GSAS files/Sr2MgMoO6/SrMoO4.cif'
_cod_data_source_file            cm0624116si20061009_081917.cif
_cod_data_source_block           I1BAR_NEUTRON_BS_FIN_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 (27
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 (75 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        350.09(5)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4001303
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001305
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg0.5 Mo0.5 O3 Sr'
_chemical_formula_weight         195.74
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.9878(12)
_cell_angle_beta                 89.9992(22)
_cell_angle_gamma                90.0048(16)
_cell_formula_units_Z            4
_cell_length_a                   5.569801(16)
_cell_length_b                   5.569576(16)
_cell_length_c                   7.923807(17)
_cell_volume                     245.8078(11)
_pd_block_id                     2006-08-22T13:30|FINAL_POL_XRAY_phase1|jbc||
_pd_phase_name
'from C:/Carlos/Sr2MgMoO6/POLARIS/PF4_FINAL_ANISO_CONTINUE.EXP'
_cod_data_source_file            cm0624116si20061009_082026.cif
_cod_data_source_block           FINAL_POL_XRAY_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 (114
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 (741 time).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        245.8080(10)
_cod_original_formula_sum        'Mg0.50 Mo0.50 O3 Sr'
_cod_database_code               4001305
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001306
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mo O4 Sr'
_chemical_formula_weight         247.56
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.4113(15)
_cell_length_b                   5.4113
_cell_length_c                   12.056(6)
_cell_volume                     353.0(2)
_pd_block_id                     2006-08-22T13:30|FINAL_POL_XRAY_phase2|jbc||
_pd_phase_name
'from C:/Carlos/Sr2MgMoO6/XRAY_oxidised/I1BAR_NEUTRON_BS_FINAL_REFI'
_cod_data_source_file            cm0624116si20061009_082026.cif
_cod_data_source_block           FINAL_POL_XRAY_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 (27
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 (75 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        353.03(16)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4001306
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001307
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg Mo O5.97 Sr2'
_chemical_formula_weight         390.96
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.9397(8)
_cell_angle_beta                 90.0234(9)
_cell_angle_gamma                89.9524(7)
_cell_formula_units_Z            2
_cell_length_a                   5.572983(31)
_cell_length_b                   5.57750(4)
_cell_length_c                   7.92131(4)
_cell_volume                     246.220(3)
_pd_block_id                     2006-10-06T09:46|FINAL_phase1|M.J._Rosseinsky||
_pd_phase_name                   test
_cod_data_source_file            cm0624116si20061009_082045.cif
_cod_data_source_block           FINAL_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 (72
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 (458 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        246.2200(30)
_cod_database_code               4001307
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001308
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            Mo
_chemical_formula_weight         95.94
_chemical_name_systematic        ' ?'
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.14683(10)
_cell_length_b                   3.14683
_cell_length_c                   3.14683
_cell_volume                     31.1616(10)
_pd_block_id                     2006-10-06T09:46|FINAL_phase2|M.J._Rosseinsky||
_pd_phase_name                   'from S:/Carlos/MoIM3M.cif'
_cod_data_source_file            cm0624116si20061009_082045.cif
_cod_data_source_block           FINAL_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 (14
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 (28 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        31.1610(30)
_cod_database_code               4001308
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001309
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg O'
_chemical_formula_weight         40.30
_chemical_name_systematic        ' ?'
_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                   4.21214(6)
_cell_length_b                   4.21214
_cell_length_c                   4.21214
_cell_volume                     74.7323(11)
_pd_block_id                     2006-10-06T09:46|FINAL_phase3|M.J._Rosseinsky||
_pd_phase_name                   'from S:/Carlos/MgO.cif'
_cod_data_source_file            cm0624116si20061009_082045.cif
_cod_data_source_block           FINAL_phase_3
_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 (24
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 (168 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        74.7320(30)
_cod_database_code               4001309
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001310
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg0.14 Mo0.52 O2.15 Sr'
_chemical_formula_weight         175.70
_chemical_name_systematic        ' ?'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            6
_cell_length_a                   3.95288(15)
_cell_length_b                   3.95288
_cell_length_c                   20.437(5)
_cell_volume                     319.33(8)
_pd_block_id                     2006-10-06T09:46|FINAL_phase4|M.J._Rosseinsky||
_pd_phase_name
'from C:/Documents and Settings/John/Desktop/HRPD_Xray/FINAL_XRAY_H'
_cod_data_source_file            cm0624116si20061009_082045.cif
_cod_data_source_block           FINAL_phase_4
_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 (113
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 (859 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4001310
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001311
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'O Sr'
_chemical_formula_weight         103.62
_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                   4.93095
_cell_length_b                   4.93095
_cell_length_c                   4.93095
_cell_volume                     119.892
_pd_block_id                     2006-10-06T09:46|FINAL_phase5|M.J._Rosseinsky||
_pd_phase_name
'from C:/Documents and Settings/John/Desktop/HRPD_Xray/FINAL_XRAY_H'
_cod_data_source_file            cm0624116si20061009_082045.cif
_cod_data_source_block           FINAL_phase_5
_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 (24
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 (168 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        119.89252
_cod_database_code               4001311
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001312
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg0.5 Mo0.5 O3 Sr'
_chemical_formula_weight         195.74
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.8921(7)
_cell_angle_beta                 89.98700(30)
_cell_angle_gamma                89.9230(5)
_cell_formula_units_Z            4
_cell_length_a                   5.571514(15)
_cell_length_b                   5.57772(4)
_cell_length_c                   7.92034(4)
_cell_volume                     246.135(2)
_pd_block_id                     2006-10-06T09:09|FINAL_phase1|jbc||
_pd_phase_name
'from C:/Carlos/Sr2MgMoO6/POLARIS/PF4_FINAL_ANISO_CONTINUE.EXP'
_cod_data_source_file            cm0624116si20061009_082105.cif
_cod_data_source_block           FINAL_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 (114
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 (734 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        246.1350(20)
_cod_original_formula_sum        'Mg0.50 Mo0.50 O3 Sr'
_cod_database_code               4001312
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001313
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            Mo
_chemical_formula_weight         95.94
_chemical_name_systematic        ' ?'
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.146092(30)
_cell_length_b                   3.146092
_cell_length_c                   3.146092
_cell_volume                     31.1397(3)
_pd_block_id                     2006-10-06T09:09|FINAL_phase2|jbc||
_pd_phase_name
'from C:/Carlos/Sr2MgMoO6/POLARIS/PF4_FINAL_ANISO_CONTINUE.EXP'
_cod_data_source_file            cm0624116si20061009_082105.cif
_cod_data_source_block           FINAL_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 (14
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 (28 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        31.1400(10)
_cod_database_code               4001313
Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction
Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.; Chemistry of Materials 19 (2007) 1035–; doi:10.1021/cm0624116

data_4001314
_publ_section_title
;
 Sr2MgMoO6-\d:&#x00A0; Structure, Phase Stability, and Cation Site Order
 Control of Reduction
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1035
_journal_paper_doi               10.1021/cm0624116
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Mg O'
_chemical_formula_weight         40.30
_chemical_name_systematic        ' ?'
_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                   4.21041(15)
_cell_length_b                   4.21041
_cell_length_c                   4.21041
_cell_volume                     74.640(3)
_pd_block_id                     2006-10-06T09:09|FINAL_phase3|jbc||
_pd_phase_name
'from C:/Carlos/Sr2MgMoO6/POLARIS/PF4_FINAL_ANISO_CONTINUE.EXP'
_cod_data_source_file            cm0624116si20061009_082105.cif
_cod_data_source_block           FINAL_phase_3
_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 (24
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 (168 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        74.640(8)
_cod_database_code               4001314