LMucko/crystallography-open-database huggingface dataset:
Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.
Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang; ACS applied materials & interfaces 13 (2021) 17817–17826; doi:10.1021/acsami.1c01909

data_4518662
_publ_section_title
;
 Structure and Microwave Dielectric Properties of Gillespite-Type
 ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and
 Quantitative Prediction of the <i>Q</i> \\times <i>f</i> Value via
 Machine Learning.
;
_journal_issue                   15
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              17817
_journal_page_last               17826
_journal_paper_doi               10.1021/acsami.1c01909
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'Ca0.5 Cu O10 Si4 Sr0.5'
_chemical_formula_weight         399.73
_space_group_IT_number           130
_space_group_name_Hall           '-P 4a 2ac'
_space_group_name_H-M_alt        'P 4/n c c :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_audit_creation_date             2020-01-06T10:52
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2020-01-06T10:52  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.3200(5)
_cell_length_b                   7.32
_cell_length_c                   15.3171(10)
_cell_measurement_temperature    298
_cell_volume                     820.73(8)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type
;
Bruker D8 Advance
;
_pd_phase_name                   (Ca0.5Sr0.5)CuSi4O10
_refine_ls_goodness_of_fit_all   1.04
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_restraints     0
_refine_ls_shift/su_mean         0.87
_cod_data_source_file            (Ca0.5Sr0.5)CuSi4O10.cif
_cod_data_source_block           (Ca0.5Sr0.5)CuSi4O10
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (166 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (49 times).

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        820.72(16)
_cod_original_formula_sum        'Ca0.50 Cu O10 Si4 Sr0.50'
_cod_database_code               4518662
Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.
Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang; ACS applied materials & interfaces 13 (2021) 17817–17826; doi:10.1021/acsami.1c01909

data_4518663
_publ_section_title
;
 Structure and Microwave Dielectric Properties of Gillespite-Type
 ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and
 Quantitative Prediction of the <i>Q</i> \\times <i>f</i> Value via
 Machine Learning.
;
_journal_issue                   15
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              17817
_journal_page_last               17826
_journal_paper_doi               10.1021/acsami.1c01909
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'Cu O10 Si4 Sr'
_chemical_formula_weight         423.50
_space_group_IT_number           130
_space_group_name_Hall           '-P 4a 2ac'
_space_group_name_H-M_alt        'P 4/n c c :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_audit_creation_date             2020-01-06T09:18
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2020-01-06T09:18  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.3703(7)
_cell_length_b                   7.3703
_cell_length_c                   15.5999(15)
_cell_measurement_temperature    298
_cell_volume                     847.41(11)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type
;
Bruker D8 Advance
;
_pd_phase_name                   SrCuSi4O10
_refine_ls_goodness_of_fit_all   1.50
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_restraints     0
_refine_ls_shift/su_mean         0.54
_cod_data_source_file            SrCuSi4O10-R.cif
_cod_data_source_block           SrCuSi4O10
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (89 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (34 times).

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        847.40(24)
_cod_database_code               4518663
The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation
Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong; Chemical Science 12 (2021) 8803–8810; doi:10.1039/D1SC00619C

data_1562555
_publ_section_title
;
 The inorganic cation-tailored &#x201C;trapdoor&#x201D; effect of
 silicoaluminophosphate zeolite for highly selective CO2 separation
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              8803
_journal_page_last               8810
_journal_paper_doi               10.1039/D1SC00619C
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'Al24 K6.35 O96 P16.36 Si7.64'
_chemical_formula_weight         3153.26
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_audit_update_record
;
2021-01-16 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.46560(10)
_cell_length_b                   14.46560(10)
_cell_length_c                   14.46560(10)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3026.98(4)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    7.544
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.730
_pd_proc_ls_prof_R_factor        0.02768
_pd_proc_ls_prof_wR_expected     0.01283
_pd_proc_ls_prof_wR_factor       0.04324
_refine_ls_goodness_of_fit_all   3.3713
_refine_ls_R_I_factor            0.01775
_refine_ls_shift/su_max          -0.00129
_cod_data_source_file            d1sc00619c2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1562555--1562558.cif.
;
_cod_original_formula_sum        'Al24 K6.35 O96 P16.36 Si7.64 '
_cod_database_code               1562555
The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation
Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong; Chemical Science 12 (2021) 8803–8810; doi:10.1039/D1SC00619C

data_1562556
_publ_section_title
;
 The inorganic cation-tailored &#x201C;trapdoor&#x201D; effect of
 silicoaluminophosphate zeolite for highly selective CO2 separation
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              8803
_journal_page_last               8810
_journal_paper_doi               10.1039/D1SC00619C
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'Al24 Na7.9 O96 P16.36 Si7.64'
_chemical_formula_weight         3086.32
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_audit_update_record
;
2021-01-16 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.4720(2)
_cell_length_b                   14.4720(2)
_cell_length_c                   14.4720(2)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3031.00(7)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    5.860
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.691
_pd_proc_ls_prof_R_factor        0.01473
_pd_proc_ls_prof_wR_expected     0.01397
_pd_proc_ls_prof_wR_factor       0.02133
_refine_ls_goodness_of_fit_all   1.5266
_refine_ls_R_I_factor            0.00658
_refine_ls_shift/su_max          0.00031
_cod_data_source_file            d1sc00619c2.cif
_cod_data_source_block           I_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1562555--1562558.cif.
;
_cod_original_formula_sum        'Al24 Na7.90 O96 P16.36 Si7.64'
_cod_database_code               1562556
The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation
Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong; Chemical Science 12 (2021) 8803–8810; doi:10.1039/D1SC00619C

data_1562557
_publ_section_title
;
 The inorganic cation-tailored &#x201C;trapdoor&#x201D; effect of
 silicoaluminophosphate zeolite for highly selective CO2 separation
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              8803
_journal_page_last               8810
_journal_paper_doi               10.1039/D1SC00619C
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'Al24 Cs6.6 O96 P16.26 Si7.74'
_chemical_formula_weight         3781.70
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_audit_update_record
;
2021-01-16 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.6832(2)
_cell_length_b                   14.6832(2)
_cell_length_c                   14.6832(2)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3165.64(7)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    19.918
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.984
_pd_proc_ls_prof_R_factor        0.04314
_pd_proc_ls_prof_wR_expected     0.01603
_pd_proc_ls_prof_wR_factor       0.06811
_refine_ls_goodness_of_fit_all   4.2486
_refine_ls_R_I_factor            0.05352
_refine_ls_shift/su_max          -0.00099
_cod_data_source_file            d1sc00619c2.cif
_cod_data_source_block           I_CCDC2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1562555--1562558.cif.
;
_cod_original_formula_sum        ' 	Al24 Cs6.60 O96 P16.26 Si7.74 '
_cod_database_code               1562557
The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation
Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong; Chemical Science 12 (2021) 8803–8810; doi:10.1039/D1SC00619C

data_1562558
_publ_section_title
;
 The inorganic cation-tailored &#x201C;trapdoor&#x201D; effect of
 silicoaluminophosphate zeolite for highly selective CO2 separation
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              8803
_journal_page_last               8810
_journal_paper_doi               10.1039/D1SC00619C
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'Al24 Cs6.6 O157.98 P16.26 Si7.74'
_chemical_formula_weight         4773.34
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_audit_update_record
;
2021-01-18 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.6833(2)
_cell_length_b                   14.6833(2)
_cell_length_c                   14.6833(2)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3165.71(7)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    20.511
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.504
_pd_proc_ls_prof_R_factor        0.03470
_pd_proc_ls_prof_wR_expected     0.02011
_pd_proc_ls_prof_wR_factor       0.04392
_refine_ls_goodness_of_fit_all   2.1844
_refine_ls_R_I_factor            0.02336
_refine_ls_shift/su_max          0.00094
_cod_data_source_file            d1sc00619c2.cif
_cod_data_source_block           I_CCDC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1562555--1562558.cif.
;
_cod_original_formula_sum        '	Al24 Cs6.60 O157.98 P16.26 Si7.74'
_cod_database_code               1562558
Structure of orthorhombic martensite in the Ti92.5Nb5Mo2.5 alloy, its deformation and thermal stability
Myslyvchenko, Oleksandr; Bondar, Anatolii; Petyukh, Vasylii; Tikhonova, Irina; Tsyganenko, Natalia; Materials Letters 277 (2020) 128267–128270; doi:10.1016/j.matlet.2020.128267

data_1562559
_publ_section_title
;
 Structure of orthorhombic martensite in the Ti92.5Nb5Mo2.5 alloy, its
 deformation and thermal stability
;
_journal_name_full               'Materials Letters'
_journal_page_first              128267
_journal_page_last               128270
_journal_paper_doi               10.1016/j.matlet.2020.128267
_journal_volume                  277
_journal_year                    2020
_chemical_formula_sum            'Mo2.5 Nb5 Ti92.5'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.0020
_cell_length_b                   5.0180
_cell_length_c                   4.6840
_cell_volume                     70.560
_cod_data_source_file            Ti92.5Nb5Mo2.5.cif
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1620974735.5788-27B9499A9FD08250.cif
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2021-05-16
;
_cod_original_cell_volume        70.500
_cod_original_formula_sum        Ti92.5Nb5Mo2.5
_cod_database_code               1562559
EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction
Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom; Chemistry of Materials  (2021) –; doi:10.1021/acs.chemmater.1c00892

data_4003942
_publ_section_title
;
 EMM-25: The Structure of Two-Dimensional 11 \\times 10 Medium-Pore
 Borosilicate Zeolite Unraveled Using 3D Electron Diffraction
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.1c00892
_journal_year                    2021
_chemical_formula_sum            'N0.52 O35.5 Si14.4'
_chemical_formula_weight         979.69
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_audit_creation_date             2019-09-09T12:22
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2019-09-09T12:22  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   11.036236(35)
_cell_length_b                   22.98504(17)
_cell_length_c                   24.80596(12)
_cell_measurement_temperature    293
_cell_volume                     6292.49(6)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
'beamline 11-BM at Argonne National Laboratory'
_pd_block_id                     2019-09-09T12:22|CLEANREFINEMENT_phase1|allen||
_pd_phase_name
'from X:/Software/GSAS/MyWork/EMM25NewSampleAsMadeB11M/Rietveldafte'
_refine_ls_goodness_of_fit_all   0.72
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_restraints     173
_refine_ls_shift/su_max          1.32
_refine_ls_shift/su_mean         0.10
_cod_data_source_file            cm1c00892_si_004.cif
_cod_data_source_block           CLEANREFINEMENT_phase_1
_cod_original_cell_volume        6292.49(5)
_cod_original_formula_sum        'N0.52 O35.50 Si14.40'
_cod_database_code               4003942
Crystal structure of Li4ZnTeO6 and revision of Li3Cu2SbO6
Nalbandyan, V.B.; Avdeev, M.; Evstigneeva, M.A.; Journal of Solid State Chemistry 199 (2013) 62–65; doi:10.1016/j.jssc.2012.11.027

data_1562710
_publ_section_title
;
 Crystal structure of Li4ZnTeO6 and revision of Li3Cu2SbO6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              62
_journal_page_last               65
_journal_paper_doi               10.1016/j.jssc.2012.11.027
_journal_volume                  199
_journal_year                    2013
_chemical_formula_sum            'Li4.02 O6 Te Zn0.98'
_chemical_formula_weight         315.31
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 110.7833(33)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.21143(30)
_cell_length_b                   8.9288(4)
_cell_length_c                   5.17679(30)
_cell_volume                     225.21(2)
_computing_structure_refinement  GSAS
_refine_ls_goodness_of_fit_all   1.94
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            JSSC-2013-199-62.cif
_cod_data_source_block           ECH0006928_LI4ZNTEO6
_cod_original_cell_volume        225.211(24)
_cod_database_code               1562710