LMucko/crystallography-open-database huggingface dataset:
Sequence of phase transitions in (NH4)3SiF7.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2609–2617; doi:10.1039/c6dt04874a

data_7041748
_publ_section_title
;
 Sequence of phase transitions in (NH4)3SiF7.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2609
_journal_page_last               2617
_journal_paper_doi               10.1039/c6dt04874a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'F6 Si, F, N'
_chemical_formula_sum            'F7 H12 N3 Si'
_chemical_formula_weight         215.12
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.4141(28)
_cell_angle_beta                 89.8084(30)
_cell_angle_gamma                90.0516(42)
_cell_formula_units_Z            4
_cell_length_a                   5.82555(19)
_cell_length_b                   11.35671(36)
_cell_length_c                   11.40625(34)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    183
_cell_measurement_theta_max      60.0022272
_cell_measurement_theta_min      2.5
_cell_volume                     754.39(4)
_diffrn_ambient_temperature      183
_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    3.698
_exptl_crystal_density_diffrn    1.788185
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        120.004454
_pd_meas_2theta_range_min        5
_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        7.383
_pd_proc_ls_prof_wR_expected     5.891
_pd_proc_ls_prof_wR_factor       10.257
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.741
_refine_ls_R_I_factor            3.38
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c6dt04874a2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
Adding full bibliography for 7041748--7041751.cif.

2018-10-22
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        754.392(41)
_cod_original_sg_symbol_Hall
;
-P 1
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_moiety     '3(F6 Si), F6 Si, 4(F), 12(N)'
_cod_original_formula_sum        'F28 N12 Si4'
_cod_original_formula_units_Z    1
_cod_original_formula_weight     812.48
_cod_database_code               7041748
Sequence of phase transitions in (NH4)3SiF7.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2609–2617; doi:10.1039/c6dt04874a

data_7041749
_publ_section_title
;
 Sequence of phase transitions in (NH4)3SiF7.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2609
_journal_page_last               2617
_journal_paper_doi               10.1039/c6dt04874a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'F6 Si, F, 3(N)'
_chemical_formula_sum            'F7 N3 Si'
_chemical_formula_weight         203.12
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.39893(48)
_cell_length_b                   11.37591(40)
_cell_length_c                   5.83430(21)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    213
_cell_measurement_theta_max      60.0022272
_cell_measurement_theta_min      2.5
_cell_volume                     756.55(5)
_diffrn_ambient_temperature      213
_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    3.688
_exptl_crystal_density_diffrn    1.783079
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        120.004454
_pd_meas_2theta_range_min        5
_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        7.635
_pd_proc_ls_prof_wR_expected     5.935
_pd_proc_ls_prof_wR_factor       10.019
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.688
_refine_ls_R_I_factor            4.04
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c6dt04874a3.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7041748--7041751.cif.'
_cod_original_cell_volume        756.553(50)
_cod_original_sg_symbol_Hall
;
-P 2 2ab
;
_cod_original_sg_symbol_H-M      Pbam
_cod_original_formula_sum
;
F7 N3 Si
;
_cod_database_code               7041749
Sequence of phase transitions in (NH4)3SiF7.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2609–2617; doi:10.1039/c6dt04874a

data_7041750
_publ_section_title
;
 Sequence of phase transitions in (NH4)3SiF7.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2609
_journal_page_last               2617
_journal_paper_doi               10.1039/c6dt04874a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'F6 Si, F, 3(N)'
_chemical_formula_sum            'F7 N3 Si'
_chemical_formula_weight         203.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.7449(17)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.57104(27)
_cell_length_b                   11.40731(27)
_cell_length_c                   11.43002(29)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    133
_cell_measurement_theta_max      60.0022272
_cell_measurement_theta_min      2.5
_cell_volume                     1508.57(6)
_diffrn_ambient_temperature      133
_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    3.699
_exptl_crystal_density_diffrn    1.788439
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        120.004454
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 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        6.214
_pd_proc_ls_prof_wR_expected     3.415
_pd_proc_ls_prof_wR_factor       8.657
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.535
_refine_ls_R_I_factor            3.95
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c6dt04874a5.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7041748--7041751.cif.'
_cod_original_cell_volume        1508.570(63)
_cod_original_sg_symbol_Hall
;
-P 2ybc
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum
;
F7 N3 Si
;
_cod_database_code               7041750
Sequence of phase transitions in (NH4)3SiF7.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2609–2617; doi:10.1039/c6dt04874a

data_7041751
_publ_section_title
;
 Sequence of phase transitions in (NH4)3SiF7.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2609
_journal_page_last               2617
_journal_paper_doi               10.1039/c6dt04874a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'F6 Si, F, 3(N)'
_chemical_formula_sum            'F7 N3 Si'
_chemical_formula_weight         203.12
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.07501(21)
_cell_length_b                   8.07501(21)
_cell_length_c                   5.86133(17)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    303
_cell_measurement_theta_max      60.0022272
_cell_measurement_theta_min      2.5
_cell_volume                     382.193(18)
_diffrn_ambient_temperature      303
_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    3.650
_exptl_crystal_density_diffrn    1.764809
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        120.004454
_pd_meas_2theta_range_min        5
_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        7.718
_pd_proc_ls_prof_wR_expected     3.832
_pd_proc_ls_prof_wR_factor       10.202
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.662
_refine_ls_R_I_factor            4.74
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c6dt04874a4.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7041748--7041751.cif.'
_cod_original_cell_volume        382.192(23)
_cod_original_sg_symbol_Hall
;
-P 4 2ab
;
_cod_original_sg_symbol_H-M      P4/mbm
_cod_original_formula_sum
;
F7 N3 Si
;
_cod_database_code               7041751
Crystal structure and spectroscopic studies of Na2Pb8(PO4)6
Toumi, M.; Mhiri, T.; Journal of the Ceramic Society of Japan 116 (2008) 904–908; doi:

data_1545071
_publ_section_title
;
 Crystal structure and spectroscopic studies of Na2Pb8(PO4)6
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              904
_journal_page_last               908
_journal_volume                  116
_journal_year                    2008
_chemical_formula_sum            'Na2 O24 P6 Pb8'
_chemical_name_common            Na2Pb8(PO4)6
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.721(4)
_cell_length_b                   9.721(4)
_cell_length_c                   7.186(5)
_cell_volume                     588.1(5)
_cod_data_source_file            Na2Pb8P6O24.cif
_cod_data_source_block           Na2Pb8P6O24
_cod_original_formula_sum        'Na2 Pb8 P6 O24'
_cod_database_code               1545071
Electronic structure of LiMn1-xMxO2 (M=Mn,Co,Ni,Zn) as a cathode active material for Li secondary battery by MEM/Rietveld analysis and first principles calculations
Idemoto, Y.; Shimizu, D.; Koura, N.; Takahashi, Y.; Akimoto, J.; Journal of the Ceramic Society of Japan 114 (2006) 849–852; doi:

data_1545072
_publ_section_title
;
 Electronic structure of LiMn1-xMxO2 (M=Mn,Co,Ni,Zn) as a cathode active
 material for Li secondary battery by MEM/Rietveld analysis and first
 principles calculations
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              849
_journal_page_last               852
_journal_volume                  114
_journal_year                    2006
_chemical_formula_sum            'Li Mn0.95 Ni0.05 O2'
_chemical_name_common            LiMn0.95Ni0.05O2
_space_group_IT_number           59
_space_group_name_H-M_alt        'P m m n'
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.54(9)
_cell_length_b                   2.79(5)
_cell_length_c                   5.7(1)
_cell_volume                     72(2)
_cod_data_source_file            LiMnO2.cif
_cod_data_source_block           LiMnO2
_cod_original_formula_sum        'Li1 Mn0.95 Ni0.05 O2'
_cod_database_code               1545072
AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer
PANalytical; Aeris Research Edition 1 (2017) 1–2; doi:

data_1545073
_publ_section_title
;
 AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer
;
_journal_name_full               'Aeris Research Edition'
_journal_page_first              1
_journal_page_last               2
_journal_volume                  1
_journal_year                    2017
_chemical_formula_sum            'Ag Ca O4 V'
_chemical_formula_weight         262.885
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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            4
_cell_length_a                   7.03255(3)
_cell_length_b                   5.86684(2)
_cell_length_c                   9.38560(4)
_cell_volume                     387.239(3)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    71.497
_exptl_crystal_density_diffrn    4.509
_exptl_crystal_F_000             488
_cod_data_source_file            AgCaVO4-PANalytical.cif
_cod_data_source_block           AgCaVO4
_cod_depositor_comments
;
Powder job
No thermal parameters given, abrbitrary values set at 0.01
No Rietveld R values provided
Indexing using DICVOL
Space group determination using Ext Sym
Intensity extracted by using the Pawley method
Structure solution by using Superflip
;
_cod_database_code               1545073
Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O
Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K.; Journal of Solid State Chemistry 86 (1990) 195–205; doi:10.1016/0022-4596(90)90135-K

data_1545074
_publ_section_title
;
 Stability, structure refinement, and magnetic properties of
 beta-Fe2(PO4)O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               205
_journal_paper_doi               10.1016/0022-4596(90)90135-K
_journal_volume                  86
_journal_year                    1990
_chemical_formula_sum            'Fe2 O5 P'
_chemical_formula_weight         222.67
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.3360(7)
_cell_length_b                   5.3360(7)
_cell_length_c                   12.457(2)
_cell_volume                     354.69(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.71
_exptl_crystal_density_diffrn    4.17
_exptl_crystal_F_000             424
_refine_ls_number_parameters     7
_refine_ls_number_reflns         56
_refine_ls_R_factor_gt           0.0345
_refine_ls_wR_factor_gt          0.0363
_cod_data_source_file            JSSC-1990-86-195-205-1.cif
_cod_data_source_block           Fe2(PO4)O-293K
_cod_original_cell_volume        354.69(11)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               1545074
Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O
Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K.; Journal of Solid State Chemistry 86 (1990) 195–205; doi:10.1016/0022-4596(90)90135-K

data_1545075
_publ_section_title
;
 Stability, structure refinement, and magnetic properties of
 beta-Fe2(PO4)O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               205
_journal_paper_doi               10.1016/0022-4596(90)90135-K
_journal_volume                  86
_journal_year                    1990
_chemical_formula_sum            'Fe2 O5 P'
_chemical_formula_weight         222.67
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.3573(2)
_cell_length_b                   5.3573(2)
_cell_length_c                   12.5046(5)
_cell_volume                     358.89(2)
_diffrn_ambient_temperature      465
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5946
_exptl_crystal_density_diffrn    4.121
_pd_proc_ls_prof_R_factor        0.0603
_pd_proc_ls_prof_wR_expected     0.0225
_pd_proc_ls_prof_wR_factor       0.0794
_refine_ls_R_I_factor            0.0763
_cod_data_source_file            JSSC-1990-86-195-205-2.cif
_cod_data_source_block           Fe2(PO4)O-465K
_cod_original_cell_volume        358.90(4)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               1545075
Stability, structure refinement, and magnetic properties of beta-Fe2(PO4)O
Ijjaali, M.; Malaman, B.; Gleitzer, C.; Warner, J. K.; Hriljac, J. A.; Cheetham, A. K.; Journal of Solid State Chemistry 86 (1990) 195–205; doi:10.1016/0022-4596(90)90135-K

data_1545076
_publ_section_title
;
 Stability, structure refinement, and magnetic properties of
 beta-Fe2(PO4)O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               205
_journal_paper_doi               10.1016/0022-4596(90)90135-K
_journal_volume                  86
_journal_year                    1990
_chemical_formula_sum            'Fe2 O5 P'
_chemical_formula_weight         222.67
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.3417(2)
_cell_length_b                   5.3417(2)
_cell_length_c                   12.4846(7)
_cell_volume                     356.23(3)
_diffrn_ambient_temperature      17
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5946
_exptl_crystal_density_diffrn    4.152
_pd_proc_ls_prof_R_factor        0.0739
_pd_proc_ls_prof_wR_expected     0.0310
_pd_proc_ls_prof_wR_factor       0.1024
_refine_ls_R_I_factor            0.0771
_cod_data_source_file            JSSC-1990-86-195-205-3.cif
_cod_data_source_block           Fe2(PO4)O-17K
_cod_original_cell_volume        356.23(4)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               1545076
Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz
Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T.; Journal of the Ceramic Society of Japan 107 (1999) 209–214; doi:

data_1545077
_publ_section_title
;
 Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              209
_journal_page_last               214
_journal_volume                  107
_journal_year                    1999
_chemical_formula_sum            'Mg0.4 O2.9 Sr Ta0.6'
_chemical_name_common            SrMg0.4Ta0.6O2.9
_space_group_IT_number           164
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6581(1)
_cell_length_b                   5.6581(1)
_cell_length_c                   6.941(2)
_cell_volume                     192.44(6)
_cod_data_source_file            Sr2Mg0.8Ta1.2Oz.cif
_cod_data_source_block           SrMg0.4Ta0.6O2.9
_cod_original_formula_sum        'Sr1 Mg0.4 Ta0.6 O2.9'
_cod_database_code               1545077
Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz
Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T.; Journal of the Ceramic Society of Japan 107 (1999) 209–214; doi:

data_1545078
_publ_section_title
;
 Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              209
_journal_page_last               214
_journal_volume                  107
_journal_year                    1999
_chemical_formula_sum            'La0.05 Mg0.4 O2.925 Sr0.95 Ta0.6'
_chemical_name_common            Sr0.95La0.05Mg0.4Ta0.6O2.925
_space_group_IT_number           164
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.654(2)
_cell_length_b                   5.654(2)
_cell_length_c                   6.926(4)
_cell_volume                     191.75(15)
_cod_data_source_file            Sr1.9La0.1Mg0.8Ta1.2Oz.cif
_cod_data_source_block           Sr0.95La0.05Mg0.4Ta0.6O2.925
_cod_original_formula_sum        'Sr0.95 La0.05 Mg0.4 Ta0.6 O2.925'
_cod_database_code               1545078