LMucko/crystallography-open-database huggingface dataset:
Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors
Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo; Scientific Reports 3 (2013) 1–7; doi:10.1038/srep03310

data_1529342
_publ_section_title
;
 Linear structural evolution induced tunable photoluminescence in
 clinopyroxene solid-solution phosphors
;
_journal_issue                   3310
_journal_name_full               'Scientific Reports'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1038/srep03310
_journal_volume                  3
_journal_year                    2013
_chemical_formula_moiety
;
Eu0.12 Mg3.23 O24 Sc0.77 Si8, 3.128(Ca), 0.752(Na)
;
_chemical_formula_sum            'Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8'
_chemical_formula_weight         882.80
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.9792(11)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.76484(23)
_cell_length_b                   8.97439(21)
_cell_length_c                   5.26841(12)
_cell_measurement_temperature    300
_cell_volume                     443.850(18)
_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    21.646
_exptl_crystal_density_diffrn    3.302665
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.020254
_pd_meas_2theta_range_max        120.008005
_pd_meas_2theta_range_min        5.002441
_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        3.862
_pd_proc_ls_prof_wR_expected     3.233
_pd_proc_ls_prof_wR_factor       5.363
_pd_proc_number_of_points        5678.1655
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.659
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CaMg0p8NaSc0p2Si2O6.cif
_cod_data_source_block           a
_cod_original_sg_symbol_Hall
;
-C 2yc
;
_cod_original_sg_symbol_H-M      C12/c1
_cod_original_formula_sum
;
Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8
;
_cod_database_code               1529342
_cod_database_fobs_code          1529342
Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors
Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo; Scientific Reports 3 (2013) 1–7; doi:10.1038/srep03310

data_1529343
_publ_section_title
;
 Linear structural evolution induced tunable photoluminescence in
 clinopyroxene solid-solution phosphors
;
_journal_issue                   3310
_journal_name_full               'Scientific Reports'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1038/srep03310
_journal_volume                  3
_journal_year                    2013
_chemical_formula_moiety         'Eu0.12 O24 Si8, 3.88(Ca)'
_chemical_formula_sum            'Ca3.88 Eu0.12 O24 Si8'
_chemical_formula_weight         782.47
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.86385(91)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.74888(17)
_cell_length_b                   8.95290(16)
_cell_length_c                   5.250985(93)
_cell_measurement_temperature    300
_cell_volume                     440.855(14)
_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    19.984
_exptl_crystal_density_diffrn    2.947
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.020254
_pd_meas_2theta_range_max        120.008005
_pd_meas_2theta_range_min        5.002441
_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        3.803
_pd_proc_ls_prof_wR_expected     3.340
_pd_proc_ls_prof_wR_factor       4.858
_pd_proc_number_of_points        5678.1655
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.455
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CaMgSi2O6_Eu.cif
_cod_data_source_block           a
_cod_original_sg_symbol_Hall
;
-C 2yc
;
_cod_original_sg_symbol_H-M      C12/c1
_cod_original_formula_sum
;
Ca3.88 Eu0.12 O24 Si8
;
_cod_database_code               1529343
_cod_database_fobs_code          1529343
Ionothermal Synthesis and Structure of a New Layered Zirconium Phosphate.
Smeets, Stef; Liu, Lei; Dong, Jinxiang; McCusker, Lynne B.; Inorganic chemistry 54 (2015) 7953–7958; doi:10.1021/acs.inorgchem.5b01094

data_4344045
_publ_section_title
;
 Ionothermal Synthesis and Structure of a New Layered Zirconium Phosphate.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7953
_journal_page_last               7958
_journal_paper_doi               10.1021/acs.inorgchem.5b01094
_journal_volume                  54
_journal_year                    2015
_chemical_formula_structural     |(C5H6N)1.77(C7H10N)1.62|[Zr6P6O28F2(H2O)4]
_chemical_formula_sum            'C10.1 H15.41 F N1.7 O16 P3 Zr3'
_chemical_name_mineral           ZrPOF-Epy
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.3350(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.63305(5)
_cell_length_b                   15.41708(12)
_cell_length_c                   11.94167(12)
_cell_volume                     1188.257(18)
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  synchrotron
_pd_meas_2theta_range_inc        0.004
_pd_meas_2theta_range_max        45.0
_pd_meas_2theta_range_min        2.0
_pd_meas_number_of_points        11316
_pd_proc_ls_prof_R_factor        0.131
_pd_proc_ls_prof_wR_expected     0.007
_pd_proc_ls_prof_wR_factor       0.136
_refine_ls_number_parameters     187
_refine_ls_number_restraints     131
_cod_data_source_file            ic5b01094_si_001.cif
_cod_data_source_block           ZrPOF-Epy
_cod_depositor_comments          'Adding full bibliography for 4344045.cif.'
_cod_original_cell_volume        1188.257(19)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C10.10 H15.41 F N1.70 O16 P3 Zr3'
_cod_database_code               4344045
_pd_meas_wavelength              0.70822(1)
Piezofluorochromic Metal-Organic Framework: A Microscissor Lift.
Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai; Journal of the American Chemical Society 137 (2015) 10064–10067; doi:10.1021/jacs.5b04695

data_4124247
_publ_section_title
;
 Piezofluorochromic Metal-Organic Framework: A Microscissor Lift.
;
_journal_issue                   32
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10064
_journal_page_last               10067
_journal_paper_doi               10.1021/jacs.5b04695
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C54 H32 O49.44 Zr3'
_chemical_formula_weight         1745.43
_chemical_name_systematic        ' ?'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   50.72(3)
_cell_length_b                   50.72(3)
_cell_length_c                   15.502(7)
_cell_measurement_temperature    293
_cell_volume                     34536(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.72959
_exptl_absorpt_coefficient_mu    0.168
_exptl_crystal_density_diffrn    0.504
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr
' ?                                                                         '
_pd_proc_ls_profile_function     'PearsonVII Peak Type'
_pd_proc_ls_prof_R_factor        0.03512
_pd_proc_ls_prof_wR_expected     0.02890
_pd_proc_ls_prof_wR_factor       0.05833
_refine_ls_goodness_of_fit_all   2.019
_refine_ls_R_I_factor            0.00369
_reflns_number_total             879
_cod_data_source_file            ja5b04695_si_003.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 4124247.cif.'
_cod_original_cell_volume        34538(50)
_cod_original_sg_symbol_Hall     '-P 6;-2'
_cod_database_code               4124247
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.; Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 70 (2014) 924–931; doi:10.1107/s2052520614021192

data_2106653
_publ_section_title
;
 Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by
 the ordering TiF~6~ of octahera
;
_journal_coden_ASTM              ACSBDA
_journal_coeditor_code           BP5070
_journal_issue                   6
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science,
 Crystal Engineering and Materials
;
_journal_page_first              924
_journal_page_last               931
_journal_paper_doi               10.1107/s2052520614021192
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'F6 Ti, F, 3(H4 N)'
_chemical_formula_sum            'F7 H12 N3 Ti'
_chemical_formula_weight         235.00
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.78316(15)
_cell_length_b                   11.78316(15)
_cell_length_c                   11.78316(15)
_cell_measurement_temperature    300
_cell_volume                     1636.01(4)
_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    9.738
_exptl_crystal_density_diffrn    1.908217
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9873
_pd_meas_2theta_range_min        11.0132
_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        3.926
_pd_proc_ls_prof_wR_expected     2.213
_pd_proc_ls_prof_wR_factor       4.850
_pd_proc_number_of_points        8060.88125
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.191
_refine_ls_R_I_factor            1.79
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            NH43TiF7_296K.cif
_cod_data_source_block           II
_cod_depositor_comments
;
 Adding Fobs data.

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_cell_volume        1636.007(64)
_cod_original_sg_symbol_Hall
;
-P 2ac 2ab 3
;
_cod_original_sg_symbol_H-M      Pa-3
_cod_original_formula_sum
;
F7 H12 N3 Ti
;
_cod_database_code               2106653
_cod_database_fobs_code          2106653
Synthesis and spectroscopic properties of multiferroic b'-Tb2(MoO4)3
V.V. Atuchin; A.S. Aleksandrovsky; O.D. Chimitova; A.S. Krylov; M.S. Molokeev; B.G. Bazarov; J.G. Bazarova; Zhiguo Xia; Optical Materials 36 (2014) 1631–1635; doi:10.1016/j.optmat.2013.12.008

data_1529369
_publ_section_title
;
 Synthesis and spectroscopic properties of multiferroic b'-Tb2(MoO4)3
;
_journal_issue                   10
_journal_name_full               'Optical Materials'
_journal_page_first              1631
_journal_page_last               1635
_journal_paper_doi               10.1016/j.optmat.2013.12.008
_journal_volume                  36
_journal_year                    2014
_chemical_formula_moiety         'Mo3 O12 Tb2'
_chemical_formula_sum            'Mo3 O12 Tb2'
_chemical_formula_weight         797.6631
_space_group_IT_number           32
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 -2ab'
_symmetry_space_group_name_H-M   'P b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.353865(61)
_cell_length_b                   10.384128(64)
_cell_length_c                   10.656947(66)
_cell_measurement_temperature    300
_cell_volume                     1145.791(12)
_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    86.176
_exptl_crystal_density_diffrn    4.624061
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        140.000349
_pd_meas_2theta_range_min        5
_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        1.346
_pd_proc_ls_prof_wR_expected     1.078
_pd_proc_ls_prof_wR_factor       1.828
_pd_proc_number_of_points        8419
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.695
_refine_ls_R_I_factor            0.726
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Tb2Mo3O12.cif
_cod_data_source_block           a
_cod_original_sg_symbol_Hall
;
P 2 -2ab
;
_cod_original_sg_symbol_H-M      Pba2
_cod_original_formula_sum
;
Mo3 O12 Tb2
;
_cod_database_code               1529369
_cod_database_fobs_code          1529369
Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin; Dalton Transactions 43 (2014) 9669–9676; doi:10.1039/C4DT00339J

data_7036112
_publ_section_title
;
 Crystal Chemistry and Luminescent Properties of Red-Emitting
 CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              9669
_journal_page_last               9676
_journal_paper_doi               10.1039/C4DT00339J
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'Cs Eu Mo2 O8'
_chemical_formula_sum            'Cs Eu Mo2 O8'
_chemical_formula_weight         604.76
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.8678(57)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.52546(14)
_cell_length_b                   5.08862(21)
_cell_length_c                   8.09010(81)
_cell_measurement_temperature    300
_cell_volume                     392.09(4)
_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    118.152
_exptl_crystal_density_diffrn    5.122263
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.020254
_pd_meas_2theta_range_max        120.007927
_pd_meas_2theta_range_min        5.002363
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Prefered orientation on (100)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.582
_pd_proc_ls_prof_wR_expected     2.598
_pd_proc_ls_prof_wR_factor       4.594
_pd_proc_number_of_points        5678.1655
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.768
_refine_ls_R_I_factor            1.28
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CsEuMo2O8.cif
_cod_data_source_block           a
_cod_original_cell_volume        392.094(43)
_cod_original_sg_symbol_Hall
;
-P 2yc
;
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum
;
Cs Eu Mo2 O8
;
_cod_database_code               7036112
_cod_database_fobs_code          7036112
Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin; Dalton Transactions 43 (2014) 9669–9676; doi:10.1039/C4DT00339J

data_7036113
_publ_section_title
;
 Crystal Chemistry and Luminescent Properties of Red-Emitting
 CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              9669
_journal_page_last               9676
_journal_paper_doi               10.1039/C4DT00339J
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'Eu1.60 Gd0.40 Mo4 O16, 2(Cs)'
_chemical_formula_sum            'Cs2 Eu1.6 Gd0.4 Mo4 O16'
_chemical_formula_weight         1211.63
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.9525(50)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.52564(17)
_cell_length_b                   5.08836(18)
_cell_length_c                   8.08806(88)
_cell_measurement_temperature    300
_cell_volume                     391.97(5)
_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    117.678
_exptl_crystal_density_diffrn    5.132805
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.020254
_pd_meas_2theta_range_max        120.007927
_pd_meas_2theta_range_min        5.002363
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Prefered orientation on (100)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.230
_pd_proc_ls_prof_wR_expected     2.500
_pd_proc_ls_prof_wR_factor       4.110
_pd_proc_number_of_points        5678.1655
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.644
_refine_ls_R_I_factor            0.92
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CsEu0p8Gd0p2Mo2O8.cif
_cod_data_source_block           a
_cod_original_cell_volume        391.973(45)
_cod_original_sg_symbol_Hall
;
-P 2yc
;
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum
;
Cs2 Eu1.60 Gd0.40 Mo4 O16
;
_cod_database_code               7036113
_cod_database_fobs_code          7036113
Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin; Dalton Transactions 43 (2014) 9669–9676; doi:10.1039/C4DT00339J

data_7036114
_publ_section_title
;
 Crystal Chemistry and Luminescent Properties of Red-Emitting
 CsGd1-xEux(MoO4)2 Solid-Solution Phosphors
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              9669
_journal_page_last               9676
_journal_paper_doi               10.1039/C4DT00339J
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'Eu1.20 Gd0.80 Mo4 O16, 2(Cs)'
_chemical_formula_sum            'Cs2 Eu1.2 Gd0.8 Mo4 O16'
_chemical_formula_weight         1213.722
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.0231(63)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.52470(14)
_cell_length_b                   5.08624(23)
_cell_length_c                   8.0769(12)
_cell_measurement_temperature    300
_cell_volume                     391.22(6)
_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    117.393
_exptl_crystal_density_diffrn    5.151631
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.020254
_pd_meas_2theta_range_max        120.007927
_pd_meas_2theta_range_min        5.002363
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Prefered orientation on (100)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.360
_pd_proc_ls_prof_wR_expected     2.494
_pd_proc_ls_prof_wR_factor       4.410
_pd_proc_number_of_points        5678.1655
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.769
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CsEu0p6Gd0p4Mo2O8.cif
_cod_data_source_block           a
_cod_original_cell_volume        391.222(59)
_cod_original_sg_symbol_Hall
;
-P 2yc
;
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum
;
Cs2 Eu1.20 Gd0.80 Mo4 O16
;
_cod_database_code               7036114
_cod_database_fobs_code          7036114