LMucko/crystallography-open-database huggingface dataset:
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu; The Journal of Physical Chemistry C 119 (2015) 2038–2045; doi:10.1021/jp509743r

data_1529462
_publ_section_title
;
 Discovery of New Solid Solution Phosphors via Cation
 Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba)
 Quasi-Binary Sets
;
_journal_issue                   0
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2038
_journal_page_last               2045
_journal_paper_doi               10.1021/jp509743r
_journal_volume                  119
_journal_year                    2015
_chemical_formula_moiety         'O12 P3, 1.16(Ba), 3.34(Sr)'
_chemical_formula_sum            'Ba1.16 O12 P3 Sr3.34'
_chemical_formula_weight         737.06
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_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            2
_cell_length_a                   5.46471(11)
_cell_length_b                   5.46471(11)
_cell_length_c                   20.22347(44)
_cell_measurement_temperature    300
_cell_volume                     523.023(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    60.278
_exptl_crystal_density_diffrn    4.67977
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no correction
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        9.150
_pd_proc_ls_prof_wR_expected     5.702
_pd_proc_ls_prof_wR_factor       13.350
_pd_proc_number_of_points        10500
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.341
_refine_ls_R_I_factor            2.38
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            BaSr2PO42_Eu.cif
_cod_data_source_block           a
_cod_original_cell_volume        523.024(23)
_cod_original_sg_symbol_Hall
;
-R 3 2"
;
_cod_original_sg_symbol_H-M      R-3m
_cod_original_formula_sum
;
Ba1.16 O12 P3 Sr3.34
;
_cod_database_code               1529462
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu; The Journal of Physical Chemistry C 119 (2015) 2038–2045; doi:10.1021/jp509743r

data_1529463
_publ_section_title
;
 Discovery of New Solid Solution Phosphors via Cation
 Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba)
 Quasi-Binary Sets
;
_journal_issue                   0
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2038
_journal_page_last               2045
_journal_paper_doi               10.1021/jp509743r
_journal_volume                  119
_journal_year                    2015
_chemical_formula_moiety         '2(O4 P), 3(Sr)'
_chemical_formula_sum            'O8 P2 Sr3'
_chemical_formula_weight         452.80
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_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                   5.387993(28)
_cell_length_b                   5.387993(28)
_cell_length_c                   19.78604(11)
_cell_measurement_temperature    300
_cell_volume                     497.443(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    35.999
_exptl_crystal_density_diffrn    4.534574
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        109.3
_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        3.988
_pd_proc_ls_prof_wR_expected     5.191
_pd_proc_ls_prof_wR_factor       5.406
_pd_proc_number_of_points        5215
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.041
_refine_ls_R_I_factor            1.99
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Sr3PO42_Eu.cif
_cod_data_source_block           a
_cod_depositor_comments
;

2019-05-13
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         1358.40
_cod_original_formula_moiety         '2(O12 P3), 9(Sr)'
_cod_original_formula_units_Z            1
_cod_original_cell_volume        497.4433(58)
_cod_original_sg_symbol_Hall
;
-R 3 2"
;
_cod_original_sg_symbol_H-M      R-3m
_cod_original_formula_sum
;
O24 P6 Sr9
;
_cod_database_code               1529463
_cod_database_fobs_code          1529463
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu; The Journal of Physical Chemistry C 119 (2015) 2038–2045; doi:10.1021/jp509743r

data_1529464
_publ_section_title
;
 Discovery of New Solid Solution Phosphors via Cation
 Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba)
 Quasi-Binary Sets
;
_journal_issue                   0
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2038
_journal_page_last               2045
_journal_paper_doi               10.1021/jp509743r
_journal_volume                  119
_journal_year                    2015
_chemical_formula_moiety         'O4 P, 1.05(Sr), 0.5(Ca)'
_chemical_formula_sum            'Ca0.5 O4 P Sr1.05'
_chemical_formula_weight         207.32
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            42
_cell_length_a                   10.66855(20)
_cell_length_b                   10.66855(20)
_cell_length_c                   38.98320(84)
_cell_measurement_temperature    300
_cell_volume                     3842.54(13)
_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    30.746
_exptl_crystal_density_diffrn    3.763389
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_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        7.614
_pd_proc_ls_prof_wR_expected     5.256
_pd_proc_ls_prof_wR_factor       11.277
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.145
_refine_ls_R_I_factor            5.07
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Sr2CaPO42_Eu.cif
_cod_data_source_block           a
_cod_original_cell_volume        3842.55(17)
_cod_original_sg_symbol_Hall
;
R 3 -2"c
;
_cod_original_sg_symbol_H-M      R3c
_cod_original_formula_sum
;
Ca0.50 O4 P Sr1.05
;
_cod_database_code               1529464
_cod_database_fobs_code          1529464
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu; The Journal of Physical Chemistry C 119 (2015) 2038–2045; doi:10.1021/jp509743r

data_1529465
_publ_section_title
;
 Discovery of New Solid Solution Phosphors via Cation
 Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba)
 Quasi-Binary Sets
;
_journal_issue                   0
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2038
_journal_page_last               2045
_journal_paper_doi               10.1021/jp509743r
_journal_volume                  119
_journal_year                    2015
_chemical_formula_moiety         'O4 P, 0.43(Sr), Ca'
_chemical_formula_sum            'Ca O4 P Sr0.43'
_chemical_formula_weight         172.39
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            42
_cell_length_a                   10.56198(31)
_cell_length_b                   10.56198(31)
_cell_length_c                   38.0712(13)
_cell_measurement_temperature    300
_cell_volume                     3678.1(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    26.753
_exptl_crystal_density_diffrn    3.268806
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_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        6.227
_pd_proc_ls_prof_wR_expected     5.970
_pd_proc_ls_prof_wR_factor       9.942
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.665
_refine_ls_R_I_factor            4.45
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            SrCa2PO42_Eu.cif
_cod_data_source_block           a
_cod_original_cell_volume        3678.05(25)
_cod_original_sg_symbol_Hall
;
R 3 -2"c
;
_cod_original_sg_symbol_H-M      R3c
_cod_original_formula_sum
;
Ca O4 P Sr0.43
;
_cod_database_code               1529465
_cod_database_fobs_code          1529465
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu; The Journal of Physical Chemistry C 119 (2015) 2038–2045; doi:10.1021/jp509743r

data_1529466
_publ_section_title
;
 Discovery of New Solid Solution Phosphors via Cation
 Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba)
 Quasi-Binary Sets
;
_journal_issue                   0
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2038
_journal_page_last               2045
_journal_paper_doi               10.1021/jp509743r
_journal_volume                  119
_journal_year                    2015
_chemical_formula_moiety         '7(O4 P), 11(Ca)'
_chemical_formula_sum            'Ca11 O28 P7'
_chemical_formula_weight         1105.67
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.44140(20)
_cell_length_b                   10.44140(20)
_cell_length_c                   37.42080(83)
_cell_measurement_temperature    300
_cell_volume                     3533.14(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    27.167
_exptl_crystal_density_diffrn    3.117877
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_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        6.893
_pd_proc_ls_prof_wR_expected     7.007
_pd_proc_ls_prof_wR_factor       9.869
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.408
_refine_ls_R_I_factor            4.40
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca3PO42_Eu.cif
_cod_data_source_block           a
_cod_original_cell_volume        3533.14(16)
_cod_original_sg_symbol_Hall
;
R 3 -2"c
;
_cod_original_sg_symbol_H-M      R3c
_cod_original_formula_sum
;
Ca11 O28 P7
;
_cod_database_code               1529466
_cod_database_fobs_code          1529466
Synthesis, Crystal Structure, and Enhanced Luminescence of Garnet-Type Ca3Ga2Ge3O12:Cr3+ by Codoping Bi3+
Chengyin Liu; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu; Journal of the American Ceramic Society 98 (2015) 1870–1876; doi:10.1111/jace.13553

data_1529480
_publ_section_title
;
 Synthesis, Crystal Structure, and Enhanced Luminescence of Garnet-Type
 Ca3Ga2Ge3O12:Cr3+ by Codoping Bi3+
;
_journal_issue                   6
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1870
_journal_page_last               1876
_journal_paper_doi               10.1111/jace.13553
_journal_volume                  98
_journal_year                    2015
_chemical_formula_moiety         'Ga8 Ge12 O48, 12(Ca)'
_chemical_formula_sum            'Ca12 Ga8 Ge12 O48'
_chemical_formula_weight         2678.04
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.25619(10)
_cell_length_b                   12.25619(10)
_cell_length_c                   12.25619(10)
_cell_measurement_temperature    300
_cell_volume                     1841.05(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    33.241
_exptl_crystal_density_diffrn    4.830857
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0202545904
_pd_meas_2theta_range_max        120.007591
_pd_meas_2theta_range_min        11.9898605
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no correction
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        7.734
_pd_proc_ls_prof_wR_expected     2.982
_pd_proc_ls_prof_wR_factor       11.281
_pd_proc_number_of_points        5333
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   3.783
_refine_ls_R_I_factor            1.40
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca3Ga2Ge3O12_Cr_Bi.cif
_cod_data_source_block           a
_cod_original_cell_volume        1841.053(47)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Ca12 Ga8 Ge12 O48
;
_cod_database_code               1529480
_cod_database_fobs_code          1529480
Preparation, crystal structure and up-conversion luminescence of Er3+, Yb3+ co-doped Gd2(WO4)3
Mengyan Yin; Yangai Liu; Lefu Mei; Maxim S. Molokeev; Zhaohui Huang; Minghao Fang; RSC Advances 5 (2015) 73077–73082; doi:10.1039/C5RA12959A

data_1529481
_publ_section_title
;
 Preparation, crystal structure and up-conversion luminescence of Er3+,
 Yb3+ co-doped Gd2(WO4)3
;
_journal_issue                   0
_journal_name_full               'RSC Advances'
_journal_page_first              73077
_journal_page_last               73082
_journal_paper_doi               10.1039/C5RA12959A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'Er0.24 Gd6.96 O48 W12 Yb0.80'
_chemical_formula_sum            'Er0.24 Gd6.96 O48 W12 Yb0.8'
_chemical_formula_weight         4247.11
_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                 109.7436(19)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.65407(21)
_cell_length_b                   11.41403(28)
_cell_length_c                   11.39088(33)
_cell_measurement_temperature    300
_cell_volume                     936.65(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    148.509
_exptl_crystal_density_diffrn    7.529706
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 6 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        8.672
_pd_proc_ls_prof_wR_expected     4.827
_pd_proc_ls_prof_wR_factor       12.658
_pd_proc_number_of_points        4750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.622
_refine_ls_R_I_factor            3.35
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Gd2WO43_ErYb.cif
_cod_data_source_block           a
_cod_depositor_comments          'wrong reference on manuscript'
_cod_original_cell_volume        936.650(46)
_cod_original_sg_symbol_Hall
;
-C 2yc
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum
;
Er0.24 Gd6.96 O48 W12 Yb0.80
;
_cod_database_code               1529481
_cod_database_fobs_code          1529481
Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei; RSC Advances 5 (2015) 59403–59407; doi:10.1039/C5RA08467A

data_7221946
_publ_section_title
;
 Ca/Sr ratio dependent structure and up-conversion luminescence of
 (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              59403
_journal_page_last               59407
_journal_paper_doi               10.1039/C5RA08467A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'Ho0.02 In7.40 O16 Yb0.40, 4(Ca)'
_chemical_formula_sum            'Ca4 Ho0.02 In7.4 O16 Yb0.4'
_chemical_formula_weight         1339.16
_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                   9.65081(23)
_cell_length_b                   3.216270(77)
_cell_length_c                   11.30393(32)
_cell_measurement_temperature    300
_cell_volume                     350.870(15)
_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    113.462
_exptl_crystal_density_diffrn    6.338
_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        9.257
_pd_proc_ls_prof_wR_expected     6.300
_pd_proc_ls_prof_wR_factor       12.155
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.929
_refine_ls_R_I_factor            5.06
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CaIn2O4_0p005Ho_0p1Yb.cif
_cod_data_source_block           a
_cod_original_cell_volume        350.869(15)
_cod_original_sg_symbol_Hall
;
-P 2ac 2n
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
;
Ca4 Ho0.02 In7.40 O16 Yb0.40
;
_cod_database_code               7221946
_cod_database_fobs_code          7221946