LMucko/crystallography-open-database huggingface dataset:
New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design
Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie; Journal of Materials Chemistry C 4 (2016) 2359–2366; doi:10.1039/c6tc00089d

data_7224686
_publ_section_title
;
 New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3),
 developed by solid solution design
;
_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2359
_journal_page_last               2366
_journal_paper_doi               10.1039/c6tc00089d
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84'
_chemical_formula_sum            'Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84'
_chemical_formula_weight         6110.49
_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            1
_cell_length_a                   11.995183(62)
_cell_length_b                   11.995183(62)
_cell_length_c                   11.995183(62)
_cell_measurement_temperature    300
_cell_volume                     1725.920(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    58.48
_exptl_crystal_density_diffrn    5.9025(67)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        60
_pd_meas_2theta_range_min        7.5
_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        8.879
_pd_proc_ls_prof_wR_expected     8.282
_pd_proc_ls_prof_wR_factor       12.018
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.451
_refine_ls_R_I_factor            1.73
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Lu1.96Y0.98Ce0.06MgAl3SiO12.cif
_cod_data_source_block           a
_cod_original_cell_volume        1725.920(27)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84
;
_cod_database_code               7224686
_cod_database_fobs_code          7224686
New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design
Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie; Journal of Materials Chemistry C 4 (2016) 2359–2366; doi:10.1039/c6tc00089d

data_7224687
_publ_section_title
;
 New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3),
 developed by solid solution design
;
_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2359
_journal_page_last               2366
_journal_paper_doi               10.1039/c6tc00089d
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'Al24 Ce0.48 Lu23.52 Mg8 O96 Si8'
_chemical_formula_sum            'Al24 Ce0.48 Lu23.52 Mg8 O96 Si8'
_chemical_formula_weight         6785.27
_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            1
_cell_length_a                   11.959576(64)
_cell_length_b                   11.959576(64)
_cell_length_c                   11.959576(64)
_cell_measurement_temperature    300
_cell_volume                     1710.596(16)
_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    71.241
_exptl_crystal_density_diffrn    6.59726(43)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        60
_pd_meas_2theta_range_min        7.5
_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        7.705
_pd_proc_ls_prof_wR_expected     8.039
_pd_proc_ls_prof_wR_factor       10.366
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.289
_refine_ls_R_I_factor            1.88
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Lu2.94Ce0.06MgAl3SiO12.cif
_cod_data_source_block           a
_cod_original_cell_volume        1710.596(28)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Al24 Ce0.48 Lu23.52 Mg8 O96 Si8
;
_cod_database_code               7224687
_cod_database_fobs_code          7224687
Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors
Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu; Journal of Materials Chemistry C 3 (2015) 12477–12483; doi:10.1039/c5tc03271g

data_7224688
_publ_section_title
;
 Insights into Ba4Si6O16 structure and photoluminescence tuning of
 Ba4Si6O16:Ce3+,Eu2+ phosphors
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12477
_journal_page_last               12483
_journal_paper_doi               10.1039/c5tc03271g
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'Ce0.14 Eu0.03 Li0.14 O32 Si12, 7.688(Ba)'
_chemical_formula_sum            'Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12'
_chemical_formula_weight         1930.91
_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                 93.5580(10)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.48590(20)
_cell_length_b                   4.69043(12)
_cell_length_c                   13.94982(27)
_cell_measurement_temperature    300
_cell_volume                     815.39(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    77.888
_exptl_crystal_density_diffrn    3.930838
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_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        6.383
_pd_proc_ls_prof_wR_expected     6.246
_pd_proc_ls_prof_wR_factor       8.276
_pd_proc_number_of_points        5750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.325
_refine_ls_R_I_factor            2.80
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ba1p9225Si3O8_0p035Ce_0p035Li_0p0075Eu.cif
_cod_data_source_block           a
_cod_original_cell_volume        815.386(29)
_cod_original_sg_symbol_Hall
;
-P 2ybc
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum
;
Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12
;
_cod_database_code               7224688
_cod_database_fobs_code          7224688
Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors
Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu; Journal of Materials Chemistry C 3 (2015) 12477–12483; doi:10.1039/c5tc03271g

data_7224689
_publ_section_title
;
 Insights into Ba4Si6O16 structure and photoluminescence tuning of
 Ba4Si6O16:Ce3+,Eu2+ phosphors
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12477
_journal_page_last               12483
_journal_paper_doi               10.1039/c5tc03271g
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'Ce0.14 Li0.14 O32 Si12, 7.72(Ba)'
_chemical_formula_sum            'Ba7.72 Ce0.14 Li0.14 O32 Si12'
_chemical_formula_weight         1930.44
_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                 93.5664(11)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.48631(23)
_cell_length_b                   4.69045(12)
_cell_length_c                   13.94852(29)
_cell_measurement_temperature    300
_cell_volume                     815.33(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    77.802
_exptl_crystal_density_diffrn    3.930196
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_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        6.129
_pd_proc_ls_prof_wR_expected     6.510
_pd_proc_ls_prof_wR_factor       7.947
_pd_proc_number_of_points        5750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.221
_refine_ls_R_I_factor            2.25
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ba1p93Si3O8_0p035Ce_0p035Li.cif
_cod_data_source_block           a
_cod_original_cell_volume        815.333(31)
_cod_original_sg_symbol_Hall
;
-P 2ybc
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum
;
Ba7.72 Ce0.14 Li0.14 O32 Si12
;
_cod_database_code               7224689
_cod_database_fobs_code          7224689
Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution
Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier; Journal of the American Chemical Society 138 (2016) 1158–1161; doi:10.1021/jacs.5b12788

data_4124954
_publ_section_title
;
 Tuning of Photoluminescence by Cation Nanosegregation in the
 (CaMg)x(NaSc)1-xSi2O6 Solid Solution
;
_journal_issue                   4
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1158
_journal_page_last               1161
_journal_paper_doi               10.1021/jacs.5b12788
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'Mg1.44 O24 Sc2.56 Si8, 1.44(Ca), 2.56(Na)'
_chemical_formula_sum            'Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8'
_chemical_formula_weight         875.39
_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                 106.5441(43)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.8048(12)
_cell_length_b                   9.0206(10)
_cell_length_c                   5.31486(65)
_cell_measurement_temperature    300
_cell_volume                     450.61(9)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
synchrotron
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
synchrotron
;
_exptl_absorpt_coefficient_mu    0.505
_exptl_crystal_density_diffrn    3.225621
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        25.994865
_pd_meas_2theta_range_min        3.0047414
_pd_meas_scan_method             cont
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.631
_pd_proc_ls_prof_wR_expected     3.722
_pd_proc_ls_prof_wR_factor       5.468
_pd_proc_number_of_points        2299.01236
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   1.469
_refine_ls_R_I_factor            1.52
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            CaMg0p3NaSc0p6Si2O6.cif
_cod_data_source_block           a
_cod_original_cell_volume        450.613(94)
_cod_original_sg_symbol_Hall
;
-C 2yc
;
_cod_original_sg_symbol_H-M      C12/c1
_cod_original_formula_sum
;
Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8
;
_cod_database_code               4124954
_cod_database_fobs_code          4124954
Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+
Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev; Science of Advanced Materials 8 (2016) 1086–1092; doi:10.1166/sam.2016.2704

data_1542919
_publ_section_title
;
 Preparation and Luminescence Properties of the Blue-Emitting Phosphor
 BaBPO5:Eu2+
;
_journal_issue                   5
_journal_name_full               'Science of Advanced Materials'
_journal_page_first              1086
_journal_page_last               1092
_journal_paper_doi               10.1166/sam.2016.2704
_journal_volume                  8
_journal_year                    2016
_chemical_formula_moiety         'B3 Eu0.24 O15 P3, 2.76(Ba)'
_chemical_formula_sum            'B3 Ba2.76 Eu0.24 O15 P3'
_chemical_formula_weight         780.84
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.104645(63)
_cell_length_b                   7.104645(63)
_cell_length_c                   6.986941(72)
_cell_measurement_temperature    300
_cell_volume                     305.424(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    81.763
_exptl_crystal_density_diffrn    4.245295(87)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        3
_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        5.763
_pd_proc_ls_prof_wR_expected     5.903
_pd_proc_ls_prof_wR_factor       9.402
_pd_proc_number_of_points        5850
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.593
_refine_ls_R_I_factor            1.62
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ba0p92Eu0p08BPO5.cif
_cod_data_source_block           a
_cod_original_cell_volume        305.4235(63)
_cod_original_sg_symbol_Hall
;
P 31 2"
;
_cod_original_sg_symbol_H-M      P3121
_cod_original_formula_sum
;
B3 Ba2.76 Eu0.24 O15 P3
;
_cod_database_code               1542919
_cod_database_fobs_code          1542919
A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties
Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei; RSC Advances 6 (2016) 24577–24583; doi:10.1039/c5ra23348h

data_7224690
_publ_section_title
;
 A novel single-phase white light emitting phosphor
 Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence
 properties
;
_journal_issue                   0
_journal_name_full               'RSC Advances'
_journal_page_first              24577
_journal_page_last               24583
_journal_paper_doi               10.1039/c5ra23348h
_journal_volume                  6
_journal_year                    2016
_chemical_formula_moiety         'F2 La1.12 O24 P5 Si, 8.884(Ca)'
_chemical_formula_sum            'Ca8.88 F2 La1.12 O24 P5 Si'
_chemical_formula_weight         1116.03
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_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                   9.43197(15)
_cell_length_b                   9.43197(15)
_cell_length_c                   6.92605(12)
_cell_measurement_temperature    300
_cell_volume                     533.606(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    41.211
_exptl_crystal_density_diffrn    3.472998
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        129.952
_pd_meas_2theta_range_min        5.0001
_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        4.104
_pd_proc_ls_prof_wR_expected     3.330
_pd_proc_ls_prof_wR_factor       5.633
_pd_proc_number_of_points        6247.595
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.691
_refine_ls_R_I_factor            1.63
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca9LaPO45SiO4F2.cif
_cod_data_source_block           a
_cod_original_cell_volume        533.606(20)
_cod_original_sg_symbol_Hall
;
-P 6c
;
_cod_original_sg_symbol_H-M      P63/m
_cod_original_formula_sum
;
Ca8.88 F2 La1.12 O24 P5 Si
;
_cod_database_code               7224690
_cod_database_fobs_code          7224690
A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties
Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei; RSC Advances 6 (2016) 24577–24583; doi:10.1039/c5ra23348h

data_7224691
_publ_section_title
;
 A novel single-phase white light emitting phosphor
 Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence
 properties
;
_journal_issue                   0
_journal_name_full               'RSC Advances'
_journal_page_first              24577
_journal_page_last               24583
_journal_paper_doi               10.1039/c5ra23348h
_journal_volume                  6
_journal_year                    2016
_chemical_formula_moiety         'Dy0.11 F2 La0.92 O24 P5 Si, 8.98(Ca)'
_chemical_formula_sum            'Ca8.98 Dy0.11 F2 La0.92 O24 P5 Si'
_chemical_formula_weight         1110.43
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_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                   9.42716(15)
_cell_length_b                   9.42716(15)
_cell_length_c                   6.92158(12)
_cell_measurement_temperature    300
_cell_volume                     532.718(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    40.346
_exptl_crystal_density_diffrn    3.457837
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        129.952
_pd_meas_2theta_range_min        5.0001
_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        4.030
_pd_proc_ls_prof_wR_expected     3.627
_pd_proc_ls_prof_wR_factor       5.551
_pd_proc_number_of_points        6247.595
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.530
_refine_ls_R_I_factor            2.11
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca9La0p9Dy0p1PO45SiO4F2.cif
_cod_data_source_block           a
_cod_original_cell_volume        532.718(20)
_cod_original_sg_symbol_Hall
;
-P 6c
;
_cod_original_sg_symbol_H-M      P63/m
_cod_original_formula_sum
;
Ca8.98 Dy0.11 F2 La0.92 O24 P5 Si
;
_cod_database_code               7224691
_cod_database_fobs_code          7224691