LMucko/crystallography-open-database huggingface dataset:
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu; Journal of Materials Chemistry C 3 (2015) 4616–4622; doi:10.1039/C5TC00339C

data_7221940
_publ_section_title
;
 Effect of Al/Si Substitution on the Structure and Luminescence Properties
 of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
;
_journal_issue                   18
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4616
_journal_page_last               4622
_journal_paper_doi               10.1039/C5TC00339C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum
'Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475'
_chemical_formula_weight         110.47
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.94901(31)
_cell_length_b                   5.59224(27)
_cell_length_c                   9.46525(43)
_cell_measurement_temperature    300
_cell_volume                     367.82(3)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    38.037
_exptl_crystal_density_diffrn    3.984277
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        8.795
_pd_proc_ls_prof_wR_expected     9.537
_pd_proc_ls_prof_wR_factor       11.544
_pd_proc_number_of_points        5500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.210
_refine_ls_R_I_factor            2.73
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca0p95Sr0p95Li0p05Ce0p05Si0p9Al0p1O4.cif
_cod_data_source_block           a
_cod_original_cell_volume        367.824(29)
_cod_original_sg_symbol_Hall
;
-P 2ac 2n
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
;
Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475
;
_cod_database_code               7221940
_cod_database_fobs_code          7221940
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu; Journal of Materials Chemistry C 3 (2015) 4616–4622; doi:10.1039/C5TC00339C

data_7221941
_publ_section_title
;
 Effect of Al/Si Substitution on the Structure and Luminescence Properties
 of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
;
_journal_issue                   18
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4616
_journal_page_last               4622
_journal_paper_doi               10.1039/C5TC00339C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum
'Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475'
_chemical_formula_weight         110.52
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.95269(33)
_cell_length_b                   5.58722(28)
_cell_length_c                   9.45515(45)
_cell_measurement_temperature    300
_cell_volume                     367.30(3)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    38.165
_exptl_crystal_density_diffrn    3.991796
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        9.516
_pd_proc_ls_prof_wR_expected     9.411
_pd_proc_ls_prof_wR_factor       12.585
_pd_proc_number_of_points        5500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.337
_refine_ls_R_I_factor            3.44
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca0p95Sr0p95Li0p05Ce0p05Si0p99Al0p01O4.cif
_cod_data_source_block           a
_cod_original_cell_volume        367.297(31)
_cod_original_sg_symbol_Hall
;
-P 2ac 2n
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
;
Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475
;
_cod_database_code               7221941
_cod_database_fobs_code          7221941
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu; Journal of Materials Chemistry C 3 (2015) 4616–4622; doi:10.1039/C5TC00339C

data_7221942
_publ_section_title
;
 Effect of Al/Si Substitution on the Structure and Luminescence Properties
 of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
;
_journal_issue                   18
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4616
_journal_page_last               4622
_journal_paper_doi               10.1039/C5TC00339C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8'
_chemical_formula_weight         882.99
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.95409(35)
_cell_length_b                   5.58264(29)
_cell_length_c                   9.45199(48)
_cell_measurement_temperature    300
_cell_volume                     366.95(3)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    29.115
_exptl_crystal_density_diffrn    3.996
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        10.268
_pd_proc_ls_prof_wR_expected     9.724
_pd_proc_ls_prof_wR_factor       14.237
_pd_proc_number_of_points        5500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.464
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca0p95Sr0p95SiO4-0p05Ce-0p05Li.cif
_cod_data_source_block           a
_cod_original_cell_volume        366.947(33)
_cod_original_sg_symbol_Hall
;
-P 2ac 2n
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
;
Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8
;
_cod_database_code               7221942
_cod_database_fobs_code          7221942
Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors
Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu; Journal of Materials Chemistry C 3 (2015) 8322–8328; doi:10.1039/C5TC01629K

data_7221943
_publ_section_title
;
 Crystal Structure Refinement and Luminescence Property of
 Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              8322
_journal_page_last               8328
_journal_paper_doi               10.1039/C5TC01629K
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'Ca19.81 Eu1.2 O48 Si12 Sr3'
_chemical_formula_weight         2344.21
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   20.4644(20)
_cell_length_b                   9.31815(87)
_cell_length_c                   5.54812(50)
_cell_measurement_temperature    300
_cell_volume                     1057.97(17)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    43.060
_exptl_crystal_density_diffrn    3.679142
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 8 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        12.379
_pd_proc_ls_prof_wR_expected     12.980
_pd_proc_ls_prof_wR_factor       16.309
_pd_proc_number_of_points        5500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.256
_refine_ls_R_I_factor            4.75
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca1p65Sr0p25SiO4-0p1Eu.cif
_cod_data_source_block           a
_cod_original_sg_symbol_Hall
;
P 2c -2n
;
_cod_original_sg_symbol_H-M      Pna21
_cod_original_formula_sum
;
Ca19.81 Eu1.20 O48 Si12 Sr3
;
_cod_database_code               7221943
_cod_database_fobs_code          7221943
Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors
Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu; Journal of Materials Chemistry C 3 (2015) 8322–8328; doi:10.1039/C5TC01629K

data_7221944
_publ_section_title
;
 Crystal Structure Refinement and Luminescence Property of
 Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              8322
_journal_page_last               8328
_journal_paper_doi               10.1039/C5TC01629K
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2'
_chemical_formula_weight         2346.95
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   20.5411(23)
_cell_length_b                   9.34901(88)
_cell_length_c                   5.55337(54)
_cell_measurement_temperature    300
_cell_volume                     1066.46(19)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    39.289
_exptl_crystal_density_diffrn    3.654116
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 4 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        12.375
_pd_proc_ls_prof_wR_expected     11.769
_pd_proc_ls_prof_wR_factor       16.978
_pd_proc_number_of_points        5500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.443
_refine_ls_R_I_factor            5.80
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca1p45Sr0p35SiO4-0p1Ce0p1Li.cif
_cod_data_source_block           a
_cod_original_sg_symbol_Hall
;
P 2c -2n
;
_cod_original_sg_symbol_H-M      Pna21
_cod_original_formula_sum
;
Ca17.40 Ce1.20 Li1.20 O48 Si12 Sr4.20
;
_cod_database_code               7221944
_cod_database_fobs_code          7221944
Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb2KInF6 during phase transitions
K.S. Aleksandrov; S.V. Misyul; M.S. Molokeev; V.N. Voronov; Physics of the Solid State 51 (2009) 2505–2512; doi:10.1134/S1063783409120130

data_1529482
_publ_section_title
;
 Structures of distorted phases and critical and noncritical atomic
 displacements of elpasolite Rb2KInF6 during phase transitions
;
_journal_issue                   12
_journal_name_full               'Physics of the Solid State'
_journal_page_first              2505
_journal_page_last               2512
_journal_paper_doi               10.1134/S1063783409120130
_journal_volume                  51
_journal_year                    2009
_chemical_formula_sum            'F6 In K Rb2'
_chemical_formula_weight         438.86
_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                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.09103(11)
_cell_length_b                   9.09103(11)
_cell_length_c                   9.09103(11)
_cell_measurement_temperature    298
_cell_volume                     751.345(16)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_type           X-ray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.016003
_pd_meas_2theta_range_max        109.90000
_pd_meas_2theta_range_min        7.00000
_pd_meas_number_of_points        6431
_pd_proc_2theta_range_inc        0.016003
_pd_proc_2theta_range_max        109.8976
_pd_proc_2theta_range_min        6.9976
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        9.0949
_pd_proc_ls_prof_wR_expected     5.2347
_pd_proc_ls_prof_wR_factor       12.9316
_pd_proc_wavelength              1.540600
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     22
_refine_ls_number_reflns         92
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.1921
_cod_data_source_file            Rb2KInF6_298K.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_original_cell_volume        751.345(15)
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               1529482
_cod_database_fobs_code          1529482
_pd_proc_ls_prof_cr_factor       19.5322
_pd_proc_ls_prof_cwr_factor      20.9635
_pd_proc_ls_prof_cwr_expected    8.4860
_pd_proc_ls_prof_chi2            6.1027
_pd_proc_ls_prof_echi2           3.5072
Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb2KInF6 during phase transitions
K.S. Aleksandrov; S.V. Misyul; M.S. Molokeev; V.N. Voronov; Physics of the Solid State 51 (2009) 2505–2512; doi:10.1134/S1063783409120130

data_1529483
_publ_section_title
;
 Structures of distorted phases and critical and noncritical atomic
 displacements of elpasolite Rb2KInF6 during phase transitions
;
_journal_issue                   12
_journal_name_full               'Physics of the Solid State'
_journal_page_first              2505
_journal_page_last               2512
_journal_paper_doi               10.1134/S1063783409120130
_journal_volume                  51
_journal_year                    2009
_chemical_formula_sum            'F6 In K Rb2'
_chemical_formula_weight         438.86
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   6.42098(9)
_cell_length_b                   6.42098(9)
_cell_length_c                   9.1006(3)
_cell_volume                     375.208(14)
_diffrn_ambient_temperature      270
_cod_data_source_file            Rb2KInF6_270K.cif
_cod_data_source_block           a
_cod_original_cell_volume        375.209(16)
_cod_original_sg_symbol_Hall     '-I 4            '
_cod_original_sg_symbol_H-M      'I 4/M           '
_cod_database_code               1529483
_cod_database_fobs_code          1529483
Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb2KInF6 during phase transitions
K.S. Aleksandrov; S.V. Misyul; M.S. Molokeev; V.N. Voronov; Physics of the Solid State 51 (2009) 2505–2512; doi:10.1134/S1063783409120130

data_1529484
_publ_section_title
;
 Structures of distorted phases and critical and noncritical atomic
 displacements of elpasolite Rb2KInF6 during phase transitions
;
_journal_issue                   12
_journal_name_full               'Physics of the Solid State'
_journal_page_first              2505
_journal_page_last               2512
_journal_paper_doi               10.1134/S1063783409120130
_journal_volume                  51
_journal_year                    2009
_chemical_formula_sum            'F6 In K Rb2'
_chemical_formula_weight         438.86
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 89.886(2)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   6.3958(2)
_cell_length_b                   6.4164(2)
_cell_length_c                   9.0637(2)
_cell_volume                     371.955(18)
_diffrn_ambient_temperature      143
_cod_data_source_file            Rb2KInF6_143K.cif
_cod_data_source_block           a
_cod_original_cell_volume        371.956(18)
_cod_original_sg_symbol_Hall     '-P 2YN          '
_cod_original_sg_symbol_H-M      'P 21/N          '
_cod_database_code               1529484
_cod_database_fobs_code          1529484
Temperature-dependent features of Pb3Mn7O15 crystal structure
N.V. Volkov; L.A. Solovyov; E.V. Eremin; K.A. Sablina; S.V. Misjul; M.S. Molokeev; A.I. Zaitsev; M.V. Gorev; A.F. Bovina; N.V. Mihashenok; Physica B: Condensed Matter 407 (2012) 689–693; doi:10.1016/j.physb.2011.11.058

data_1529485
_publ_section_title
;
 Temperature-dependent features of Pb3Mn7O15 crystal structure
;
_journal_issue                   4
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              689
_journal_page_last               693
_journal_paper_doi               10.1016/j.physb.2011.11.058
_journal_volume                  407
_journal_year                    2012
_chemical_formula_sum            'Mn7 O15 Pb3'
_chemical_formula_weight         1246.15
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   13.59385(7)
_cell_length_b                   17.30269(13)
_cell_length_c                   10.03054(7)
_cell_measurement_temperature    298
_cell_volume                     2359.29(3)
_computing_structure_refinement  DDM
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type
;
PANalytical XPert PRO
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    7.0191
_pd_meas_2theta_range_inc        0.0130
_pd_meas_2theta_range_max        109.9910
_pd_meas_2theta_range_min        9.0070
_pd_meas_scan_method             step
_pd_proc_ls_prof_wR_expected     0.05567
_pd_proc_ls_prof_wR_factor       0.07387
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.32693
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.02609
_refine_ls_R_I_factor            0.02829
_refine_ls_shift/su_max          0.03694
_cod_data_source_file            Pb3Mn7O15_298K.cif
_cod_data_source_block           a
_cod_original_cell_volume        2359.284(27)
_cod_original_sg_symbol_Hall     '-P 2AC 2N           '
_cod_original_sg_symbol_H-M      'Pnma                '
_cod_original_formula_sum        'Mn7 O15 Pb3 '
_cod_database_code               1529485