LMucko/crystallography-open-database huggingface dataset:
Phase transitions and the structure of the C60 crystal doped with lithium by electrodiffusion
Dilanyan, R.A.; Khasanov, S.S.; Gurov, A.F.; Osip'yan, Yu.A.; Bredikhin, S.I.; Kveder, V.V.; Shalynin, A.I.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 93 (2001) 1430–1437; doi:

data_1531302
_publ_section_title
;
 Phase transitions and the structure of the C60 crystal doped with lithium
 by electrodiffusion
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              1430
_journal_page_last               1437
_journal_volume                  93
_journal_year                    2001
_chemical_formula_sum            C60
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.745
_cell_length_b                   9.843
_cell_length_c                   9.092
_cell_volume                     1319.568
_citation_journal_id_ASTM        ZETFA7
_cod_data_source_file            Dilanyan_ZETFA7_2001_80.cif
_cod_data_source_block           C60
_cod_database_code               1531302
Properties and crystal structure of a novel silicate single crystal: Ba H2 Si O4
Chen, Q.-W.; Wong, K.H.; Mak, C.L.; Zhou, Z.-Y.; Tang, S.-Y.; Zhu, T.; Wuji Huaxue Xuebao 18 (2002) 45–50; doi:

data_1531303
_publ_section_title
;
 Properties and crystal structure of a novel silicate single crystal: Ba
 H2 Si O4
;
_journal_name_full               'Wuji Huaxue Xuebao'
_journal_page_first              45
_journal_page_last               50
_journal_volume                  18
_journal_year                    2002
_chemical_formula_sum            'Ba H2 O4 Si'
_chemical_name_systematic        'Ba (H2 Si O4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.64
_cell_angle_beta                 88.785
_cell_angle_gamma                88.23
_cell_formula_units_Z            4
_cell_length_a                   7.079
_cell_length_b                   7.362
_cell_length_c                   7.5824
_cell_volume                     394.878
_citation_journal_id_ASTM        WHUXEO
_cod_data_source_file            Chen_WHUXEO_2002_957.cif
_cod_data_source_block           H2Ba1O4Si1
_cod_original_cell_volume        394.8777
_cod_original_formula_sum        'H2 Ba1 O4 Si1'
_cod_database_code               1531303
Structure and hyperfine properties of Sm2 (Fe, Si)17
Djega-Mariadassou, C.; Bessais, L.; Nandra, A.; Burzo, E.; Greneche, J.M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2001) 014419-1–014419-8; doi:

data_1531304
_publ_section_title
;
 Structure and hyperfine properties of Sm2 (Fe, Si)17
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              014419-1
_journal_page_last               014419-8
_journal_volume                  65
_journal_year                    2001
_chemical_formula_sum            'Fe17 Sm2'
_chemical_name_systematic        'Sm2 Fe17'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.558
_cell_length_b                   8.558
_cell_length_c                   12.441
_cell_volume                     789.097
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Djega-Mariadassou_PRBMDO_2001_1224.cif
_cod_data_source_block           Fe17Sm2
_cod_original_cell_volume        789.0971
_cod_database_code               1531304
Structure and hyperfine properties of Sm2 (Fe, Si)17
Djega-Mariadassou, C.; Bessais, L.; Greneche, J.M.; Nandra, A.; Burzo, E.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2001) 014419-1–014419-8; doi:

data_1531305
_publ_section_title
;
 Structure and hyperfine properties of Sm2 (Fe, Si)17
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              014419-1
_journal_page_last               014419-8
_journal_volume                  65
_journal_year                    2001
_chemical_formula_sum            'Fe15.5 Si1.5 Sm2'
_chemical_name_systematic        'Sm2 Fe5 (Fe10.5 Si1.5)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.527
_cell_length_b                   8.527
_cell_length_c                   12.428
_cell_volume                     782.572
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Djega-Mariadassou_PRBMDO_2001_1225.cif
_cod_data_source_block           Fe15.5Si1.5Sm2
_cod_original_cell_volume        782.5723
_cod_database_code               1531305
Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray study
Doebelin, N.; Armbruster, T.; American Mineralogist 88 (2003) 527–533; doi:

data_1531306
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray
 study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              527
_journal_page_last               533
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al8.96 H34.32 O89.16 Si27.04 Sr4.56'
_chemical_name_systematic        'Sr4.56 (Al8.96 Si27.04 O72) (H2 O)17.16'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.897
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.642
_cell_length_b                   17.775
_cell_length_c                   7.414
_cell_volume                     2073.423
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Doebelin_AMMIAY_2003_1803.cif
_cod_data_source_block           H34.32Al8.96O89.16Si27.04Sr4.56
_cod_original_cell_volume        2073.422
_cod_original_formula_sum        'H34.32 Al8.96 O89.16 Si27.04 Sr4.56'
_cod_database_code               1531306
Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe
Doering, W.; Seelentag, W.; Schuster, H.U.; Buchholz, W.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 1715–1718; doi:

data_7222164
_publ_section_title
;
 Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen
 der 4. Hauptgruppe
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1715
_journal_page_last               1718
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Cu57 Li52 Si51'
_chemical_name_systematic        'Li52 Cu57 Si51'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.933
_cell_length_b                   12.933
_cell_length_c                   12.933
_cell_volume                     2163.206
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Doering_ZNBAD2_1979_882.cif
_cod_data_source_block           Cu57Li52Si51
_cod_database_code               7222164
Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe
Doering, W.; Seelentag, W.; Buchholz, W.; Schuster, H.U.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 1715–1718; doi:

data_7222165
_publ_section_title
;
 Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen
 der 4. Hauptgruppe
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1715
_journal_page_last               1718
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Li52 Ni36 Si72'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.741
_cell_length_b                   12.741
_cell_length_c                   12.741
_cell_volume                     2068.286
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Doering_ZNBAD2_1979_888.cif
_cod_data_source_block           Li52Ni36Si72
_cod_database_code               7222165
Magnetic and calorimetric studies on 6H-perovskite Ba3 Tb Ru2 O9
Doi, Y.; Hinatsu, Y.; Wakeshima, M.; Tobo, A.; Ohoyama, K.; Yamaguchi, Y.; Journal of Alloys Compd. 344 (2002) 166–169; doi:

data_1531307
_publ_section_title
;
 Magnetic and calorimetric studies on 6H-perovskite Ba3 Tb Ru2 O9
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              166
_journal_page_last               169
_journal_volume                  344
_journal_year                    2002
_chemical_formula_sum            'Ba3 O9 Ru2 Tb'
_chemical_name_systematic        'Ba3 Tb (Ru2 O9)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.8365
_cell_length_b                   5.8365
_cell_length_c                   14.4257
_cell_volume                     425.571
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Doi_JALCEU_2002_533.cif
_cod_data_source_block           Ba3O9Ru2Tb1
_cod_original_cell_volume        425.5715
_cod_original_formula_sum        'Ba3 O9 Ru2 Tb1'
_cod_database_code               1531307
Das System (K Cl)/(Er Cl3) und die Modifikationen der Verbindungen K3 Ln Cl6 (Ln = Ce - Lu, Y)
Dudek, H.; Seifert, H.J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2317–2322; doi:

data_1531308
_publ_section_title
;
 Das System (K Cl)/(Er Cl3) und die Modifikationen der Verbindungen K3 Ln
 Cl6 (Ln = Ce - Lu, Y)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2317
_journal_page_last               2322
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Cl6 Er K3'
_chemical_name_systematic        'K3 (Er Cl6)'
_space_group_IT_number           14
_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                 109.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.07
_cell_length_b                   7.713
_cell_length_c                   12.577
_cell_volume                     1191.638
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dudek_ZAACAB_2001_37.cif
_cod_data_source_block           Cl6Er1K3
_cod_original_formula_sum        'Cl6 Er1 K3'
_cod_database_code               1531308
Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group from Latium (Italy)
della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.; American Mineralogist 87 (2002) 739–744; doi:

data_1531309
_publ_section_title
;
 Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group
 from Latium (Italy)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              739
_journal_page_last               744
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al0.5 B3.99 Be1.18 Ca4.37 Ce1.46 F0.53 Fe0.38 H0.43 Li0.02 Mg0.03 O23.47 Si3.98 Th0.17 Ti0.07'
_chemical_name_systematic
;
Ca4 (Ce1.46 Ca0.37 Th0.17) (Al0.5 Fe0.38 Mg0.03 Ti0.07) (Be1.18 Li0.02) B3.99 
Si3.98 O22 (O1.04 F0.53 (O H)0.43)
;
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.032
_cell_length_b                   4.746
_cell_length_c                   10.248
_cell_volume                     864.351
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            dellaVentura_AMMIAY_2002_158.cif
_cod_data_source_block
H0.43Al0.5B3.99Be1.18Ca4.37Ce1.46F0.53Fe0.38Li0.02Mg0.03O23.47Si3.98Th0.17Ti0.07
_cod_original_cell_volume        864.3511
_cod_original_sg_symbol_Hall     '-P 2yc (z,y,-x)'
_cod_original_formula_sum
;
H0.43 Al0.5 B3.99 Be1.18 Ca4.37 Ce1.46 F0.53 Fe0.38 Li0.02 Mg0.03 O23.47 
Si3.98 Th0.17 Ti0.07
;
_cod_database_code               1531309
Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group from Latium (Italy)
della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.; American Mineralogist 87 (2002) 739–744; doi:

data_1531310
_publ_section_title
;
 Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group
 from Latium (Italy)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              739
_journal_page_last               744
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al0.48 B4 Be0.82 Ca4.6 Ce0.74 F0.49 Fe0.4 H0.54 Li0.04 Mg0.05 O23.51 Si4 Th0.66 Ti0.1'
_chemical_name_systematic
;
Ca4 (Ce0.74 Ca0.60 Th0.66) (Al0.48 Fe0.40 Mg0.05 Ti0.10) (Be0.82 Li0.04) B4 
Si4 O22 (O0.97 F0.49 (O H)0.54)
;
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.059
_cell_length_b                   4.729
_cell_length_c                   10.291
_cell_volume                     863.993
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            dellaVentura_AMMIAY_2002_159.cif
_cod_data_source_block
H0.54Al0.48B4Be0.82Ca4.6Ce0.74F0.49Fe0.4Li0.04Mg0.05O23.51Si4Th0.66Ti0.1
_cod_original_cell_volume        863.9932
_cod_original_sg_symbol_Hall     '-P 2yc (z,y,-x)'
_cod_original_formula_sum
;
H0.54 Al0.48 B4 Be0.82 Ca4.6 Ce0.74 F0.49 Fe0.4 Li0.04 Mg0.05 O23.51 Si4 
Th0.66 Ti0.1
;
_cod_database_code               1531310
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18078–18089; doi:10.1039/c5dt02760h

data_7036559
_publ_section_title
;
 Effects of composition modulation on the luminescence properties of
 Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18078
_journal_page_last               18089
_journal_paper_doi               10.1039/c5dt02760h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Ag Lu Mo2 O8'
_chemical_formula_sum            'Ag Lu Mo2 O8'
_chemical_formula_weight         602.72
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.172556(90)
_cell_length_b                   5.172556(90)
_cell_length_c                   11.39257(20)
_cell_measurement_temperature    300
_cell_volume                     304.812(9)
_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    88.469
_exptl_crystal_density_diffrn    6.566842
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
PO on (024)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        6.792
_pd_proc_ls_prof_wR_expected     5.708
_pd_proc_ls_prof_wR_factor       10.475
_pd_proc_number_of_points        8846.15385
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.835
_refine_ls_R_I_factor            1.31
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt02760h3.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7036559--7036562.cif.'
_cod_original_cell_volume        304.812(12)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
Ag Lu Mo2 O8
;
_cod_database_code               7036559
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18078–18089; doi:10.1039/c5dt02760h

data_7036560
_publ_section_title
;
 Effects of composition modulation on the luminescence properties of
 Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18078
_journal_page_last               18089
_journal_paper_doi               10.1039/c5dt02760h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Ag Eu Mo2 O8'
_chemical_formula_sum            'Ag Eu Mo2 O8'
_chemical_formula_weight         579.72
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.263340(22)
_cell_length_b                   5.263340(22)
_cell_length_c                   11.543334(56)
_cell_measurement_temperature    300
_cell_volume                     319.782(2)
_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    124.980
_exptl_crystal_density_diffrn    6.020535
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        119.978565
_pd_meas_2theta_range_min        5.00656514
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
PO on (024)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        1.109
_pd_proc_ls_prof_wR_expected     0.429
_pd_proc_ls_prof_wR_factor       1.657
_pd_proc_number_of_points        8844
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   3.861
_refine_ls_R_I_factor            0.26
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt02760h2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7036559--7036562.cif.'
_cod_original_cell_volume        319.7820(31)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
Ag Eu Mo2 O8
;
_cod_database_code               7036560
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18078–18089; doi:10.1039/c5dt02760h

data_7036561
_publ_section_title
;
 Effects of composition modulation on the luminescence properties of
 Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18078
_journal_page_last               18089
_journal_paper_doi               10.1039/c5dt02760h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Li Lu Mo2 O8'
_chemical_formula_sum            'Li Lu Mo2 O8'
_chemical_formula_weight         501.79
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.10332(11)
_cell_length_b                   5.10332(11)
_cell_length_c                   11.08290(27)
_cell_measurement_temperature    300
_cell_volume                     288.642(11)
_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    66.960
_exptl_crystal_density_diffrn    5.773484
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
PO on (024)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        7.498
_pd_proc_ls_prof_wR_expected     4.823
_pd_proc_ls_prof_wR_factor       11.790
_pd_proc_number_of_points        8846.15385
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.445
_refine_ls_R_I_factor            0.90
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt02760h5.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7036559--7036562.cif.'
_cod_original_cell_volume        288.642(15)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
Li Lu Mo2 O8
;
_cod_database_code               7036561