LMucko/crystallography-open-database huggingface dataset:
Co[(C6H10)(NH3)2][C6H2(COO)4]· 2H2O und Zn[(C6H12)(NH3)2][C6H2(COO)4]·1/2H2O - Zwei zeolithartige dreidimensionale Koordinationspolymere
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 629 (2003) 2186–; doi:10.1002/zaac.200300203

data_1549546
_publ_section_title
;
 Co[(C6H10)(NH3)2][C6H2(COO)4]&#x00B7; 2H2O und
 Zn[(C6H12)(NH3)2][C6H2(COO)4]&#x00B7;1/2H2O - Zwei zeolithartige
 dreidimensionale Koordinationspolymere
;
_journal_issue                   1213
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              2186
_journal_paper_doi               10.1002/zaac.200300203
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C16 H22 Co N2 O10'
_chemical_formula_weight         461.290
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                90.000
_cell_angle_beta                 90.101(6)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.6592(8)
_cell_length_b                   15.6897(9)
_cell_length_c                   11.4088(9)
_cell_volume                     1908.0(2)
_refine_ls_R_factor_all          0.027
_refine_ls_R_factor_obs          0.023
_cod_data_source_file            Cohexpym-1.cif
_cod_data_source_block           co1480
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               1549546
Co[(C6H10)(NH3)2][C6H2(COO)4]· 2H2O und Zn[(C6H12)(NH3)2][C6H2(COO)4]·1/2H2O - Zwei zeolithartige dreidimensionale Koordinationspolymere
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 629 (2003) 2186–; doi:10.1002/zaac.200300203

data_1549547
_publ_section_title
;
 Co[(C6H10)(NH3)2][C6H2(COO)4]&#x00B7; 2H2O und
 Zn[(C6H12)(NH3)2][C6H2(COO)4]&#x00B7;1/2H2O - Zwei zeolithartige
 dreidimensionale Koordinationspolymere
;
_journal_issue                   1213
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              2186
_journal_paper_doi               10.1002/zaac.200300203
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C16 H21 N2 O8.5 Zn'
_chemical_formula_weight         442.720
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                90.000
_cell_angle_beta                 96.249(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.8778(8)
_cell_length_b                   15.1518(11)
_cell_length_c                   11.6221(10)
_cell_volume                     1904.2(3)
_refine_ls_R_factor_all          0.075
_refine_ls_R_factor_obs          0.047
_cod_data_source_file            Znhexpym-1.cif
_cod_data_source_block           zn16py
_cod_original_sg_symbol_Hall     -P_2yn
_cod_original_formula_sum        'C16 H21 N2 O8.50 Zn'
_cod_database_code               1549547
Cu2[Cu(H2O)4][(CH2)4(NH3)2][C6H2(COO)4]2·4H2O — Ein dreidimensionales Koordinationspolymer mit negativer Überschußladung und kanalartigen Hohlräumen
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 629 (2003) 1374–; doi:10.1002/zaac.200300077

data_1549548
_publ_section_title
;
 Cu2[Cu(H2O)4][(CH2)4(NH3)2][C6H2(COO)4]2&#x00B7;4H2O --- Ein
 dreidimensionales Koordinationspolymer mit negativer \"Uberschu\&sladung
 und kanalartigen Hohlr\"aumen
;
_journal_issue                   78
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1374
_journal_paper_doi               10.1002/zaac.200300077
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C12 H17 Cu1.5 N O12'
_chemical_formula_weight         462.580
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                87.194(7)
_cell_angle_beta                 84.679(7)
_cell_angle_gamma                74.744(6)
_cell_formula_units_Z            2
_cell_length_a                   7.9973(7)
_cell_length_b                   9.7743(8)
_cell_length_c                   10.8627(9)
_cell_volume                     815.40(12)
_refine_ls_R_factor_all          0.036
_refine_ls_R_factor_obs          0.031
_cod_data_source_file            Cubutpym-1.cif
_cod_data_source_block           cu14qu
_cod_original_cell_volume        815.4(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_original_formula_sum        'C12 H17 Cu1.50 N O12'
_cod_database_code               1549548
[Mn(H2O)2]4[HNC5H4(COO)]2[C6H2(COO)4]2·4H2O— Ein dreidimensionales Koordinationspolymer mit Gastwassermolekülen in kanalartigen Hohlräumen
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 630 (2004) 185–; doi:10.1002/zaac.200300262

data_1549549
_publ_section_title
;
 [Mn(H2O)2]4[HNC5H4(COO)]2[C6H2(COO)4]2&#x00B7;4H2O--- Ein
 dreidimensionales Koordinationspolymer mit Gastwassermolek\"ulen in
 kanalartigen Hohlr\"aumen
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              185
_journal_paper_doi               10.1002/zaac.200300262
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C32 H38 Mn4 N2 O32'
_chemical_formula_weight         1182.400
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                101.096(8)
_cell_angle_beta                 92.796(14)
_cell_angle_gamma                96.03(2)
_cell_formula_units_Z            2
_cell_length_a                   9.997(2)
_cell_length_b                   13.1442(15)
_cell_length_c                   16.458(2)
_cell_volume                     2105.2(6)
_refine_ls_R_factor_all          0.060
_refine_ls_R_factor_obs          0.037
_cod_data_source_file            Mnisopym-1.cif
_cod_data_source_block           mnnicpy
_cod_original_cell_volume        2105.2(5)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               1549549
?
Kinga Roszak; Andrzej Katrusiak; To be published  () –; doi:

data_3000201
_publ_section_title
;
 ?
;
_journal_name_full               'To be published'
_chemical_formula_sum            'C14 H19 N O5'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.777(4)
_cell_angle_gamma                90
_cell_length_a                   7.7435(4)
_cell_length_b                   8.5239(6)
_cell_length_c                   21.3072(10)
_cell_measurement_temperature    160(2)
_cell_volume                     1403.32(14)
_diffrn_ambient_temperature      160(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_R_factor_all          0.1624
_refine_ls_R_factor_gt           0.0749
_refine_ls_wR_factor_gt          0.1691
_refine_ls_wR_factor_ref         0.2035
_cod_database_code               3000201
_cod_hold_until_date             2018-11-26
?
Kinga Roszak; Katrusiak, Andrzej; To be published  () –; doi:

data_3000202
_publ_section_title
;
 ?
;
_journal_name_full               'To be published'
_chemical_formula_sum            'C14 H19 N O5'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.5390(10)
_cell_angle_gamma                90
_cell_length_a                   7.76280(10)
_cell_length_b                   8.71410(10)
_cell_length_c                   21.3766(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1443.28(3)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1384
_cod_database_code               3000202
_cod_hold_until_date             2018-11-26
Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs
Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert; CrystEngComm 20 (2018) 5108–; doi:10.1039/C8CE00949J

data_7231032
_publ_section_title
;
 Direct water-based synthesis and characterization of new Zr/Hf-MOFs with
 dodecanuclear clusters as IBUs
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              5108
_journal_paper_doi               10.1039/C8CE00949J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C72 Hf12 N24 O104.38'
_chemical_formula_weight         5012.92
_chemical_name_mineral           Hf-CAU-39
_chemical_name_systematic        Hf-CAU-39
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_audit_update_record
;
2018-05-15 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   20.84368(81)
_cell_length_b                   20.84368(81)
_cell_length_c                   24.3675(25)
_cell_volume                     9168.3(11)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_wavelength     1.540598
_cod_data_source_file            c8ce00949j2.cif
_cod_data_source_block           structure
_cod_depositor_comments          'Adding full bibliography for 7231032.cif.'
_cod_original_cell_volume        9168.3(12)
_cod_original_sg_symbol_H-M      P63/M
_cod_database_code               7231032
Fischer, Michael; To be published in American Mineralogist  () –; doi:

data_3000204
_journal_name_full               'To be published in American Mineralogist'
_chemical_formula_sum            'C4 H10 Al3 F N O13 P3'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.559008237363869
_cell_angle_beta                 75.706920906256016
_cell_angle_gamma                89.053427609763133
_cell_length_a                   9.094193232002588
_cell_length_b                   9.199279133573546
_cell_length_c                   9.351278219859660
_cell_volume                     755.833
_cod_database_code               3000204
_cod_hold_until_date             2019-06-12
Fischer, Michael; To be published in American Mineralogist  () –; doi:

data_3000205
_journal_name_full               'To be published in American Mineralogist'
_chemical_formula_sum            'C4 H10 Al3 F N O13 P3'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.170314194583568
_cell_angle_beta                 80.243421592621047
_cell_angle_gamma                88.244191264185346
_cell_length_a                   8.600738272042221
_cell_length_b                   8.960544030408933
_cell_length_c                   8.587351521959777
_cell_volume                     651.897
_cod_database_code               3000205
_cod_hold_until_date             2019-06-12
Crystal structure of LiKCuP~2~O~7~, a new diphosphate family member
Fitouri, Ines; Boughzala, Habib; To be published  () –; doi:

data_3000207
_publ_section_title
;
 Crystal structure of LiKCuP~2~O~7~, a new diphosphate family member
;
_journal_name_full               'To be published'
_chemical_formula_sum            'Cu K Li O7 P2'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.189(10)
_cell_angle_gamma                90
_cell_length_a                   5.0658(10)
_cell_length_b                   14.180(2)
_cell_length_c                   8.473(7)
_cell_measurement_temperature    298(2)
_cell_volume                     608.6(5)
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_gt          0.0509
_refine_ls_wR_factor_ref         0.0526
_cod_database_code               3000207
_cod_hold_until_date             2018-12-22
Crystal structure of Rb0.5Na1.5CuP~2~O~7~, a new diphosphate family member
Fitouri, Ines; Boughzala, Habib; To be published  () –; doi:

data_3000208
_publ_section_title
;
 Crystal structure of Rb0.5Na1.5CuP~2~O~7~, a new diphosphate family
 member
;
_journal_name_full               'To be published'
_chemical_formula_sum            'Cu Na1.5 O7 P2 Rb0.5'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.48(2)
_cell_angle_gamma                90
_cell_length_a                   7.817(2)
_cell_length_b                   9.806(3)
_cell_length_c                   8.644(3)
_cell_measurement_temperature    298(2)
_cell_volume                     641.5(3)
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0744
_cod_database_code               3000208
_cod_hold_until_date             2018-12-22
Copper-catalyzed α-benzylation of BODIPYs via radical-triggered oxidative cross-coupling of two C-H bonds.
Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Boens, Noël; Chemical communications (Cambridge, England) 54 (2018) 9059–9062; doi:10.1039/c8cc04679d

data_7122017
_publ_section_title
;
 Copper-catalyzed \a-benzylation of BODIPYs via radical-triggered
 oxidative cross-coupling of two C-H bonds.
;
_journal_issue                   65
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9059
_journal_page_last               9062
_journal_paper_doi               10.1039/c8cc04679d
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C22 H16 B F2 N3 O2'
_chemical_formula_weight         403.190
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2016-05-27
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-11-30 deposited with the CCDC.
2018-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                73.386(1)
_cell_angle_beta                 89.110(2)
_cell_angle_gamma                85.852(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1055(10)
_cell_length_b                   10.4030(13)
_cell_length_c                   12.2541(15)
_cell_volume                     987.5(2)
_refine_ls_R_factor_all          0.091
_cod_data_source_file            c8cc04679d2.cif
_cod_data_source_block           160526b_0m
_cod_depositor_comments
'Adding full bibliography for 7122015--7122017.cif.'
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7122017
Single-crystal X Ray study of gamma Mg2SiO4 : partially disordered model (final result)
Sasaki, S.; Prewitt, C.T.; Sato, Y.; Ito, E.; Journal of Geophysical Research: Solid Earth 87 (1982) 7829–7832; doi:

data_1549722
_publ_section_title
;
 Single-crystal X Ray study of gamma Mg2SiO4 : partially disordered model
 (final result)
;
_journal_name_full
'Journal of Geophysical Research: Solid Earth'
_journal_page_first              7829
_journal_page_last               7832
_journal_volume                  87
_journal_year                    1982
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_common            ringwoodite
_chemical_name_mineral           ringwoodite
_space_group_IT_number           227
_space_group_name_H-M_alt        'F d -3 m'
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0649(1)
_cell_length_b                   8.0649(1)
_cell_length_c                   8.0649(1)
_cell_volume                     524.562(11)
_cod_data_source_file            Mg2SiO4-gamma_JGR_ocup.cif
_cod_data_source_block           Mg2SiO4_ringwoodite_disorder
_cod_original_formula_sum        'Mg2 Si O4'
_cod_database_code               1549722
High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.
Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12243–12252; doi:10.1039/c8dt02781a

data_7047160
_publ_section_title
;
 High efficiency green OLEDs based on homoleptic iridium complexes with
 steric phenylpyridazine ligands.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12243
_journal_page_last               12252
_journal_paper_doi               10.1039/c8dt02781a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C109 H56 Cl2 F36 Ir2 N12'
_chemical_formula_weight         2672.990
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             16-12-28
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2017-12-20 deposited with the CCDC.
2018-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   23.6369(11)
_cell_length_b                   18.4262(9)
_cell_length_c                   24.0732(12)
_cell_volume                     10484.8(9)
_refine_ls_R_factor_all          0.068
_cod_data_source_file            c8dt02781a2.cif
_cod_data_source_block           test_0m
_cod_depositor_comments
'Adding full bibliography for 7047159--7047161.cif.'
_cod_original_sg_symbol_Hall     -P_2ac_2ab
_cod_database_code               7047160
The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda, near Governador Valadares, Minas Gerais, Brazil
Arima, H.; Kida, Y.; Mikouchi, T.; Sugiyama, K.; Journal of Mineralogical and Petrological Sciences 113 (2018) 119–125; doi:

data_1549763
_publ_section_title
;
 The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda,
 near Governador Valadares, Minas Gerais, Brazil
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              119
_journal_page_last               125
_journal_volume                  113
_journal_year                    2018
_chemical_formula_sum            'Ca4.83 F Mn0.15 O12 P3 Sr0.02'
_chemical_name_common            fluorapatite
_chemical_name_mineral           fluorapatite
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_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            2
_cell_length_a                   9.384(2)
_cell_length_b                   9.384(2)
_cell_length_c                   6.8842(6)
_cell_volume                     525.00(16)
_cod_data_source_file            flourapatite.cif
_cod_data_source_block           flourapatite
_cod_original_formula_sum        'Ca4.83 Mn0.15 Sr0.02 P3 O12 F1'
_cod_database_code               1549763
Crystal structure refinement and chemical formula of prosopite, CaAl2F4[(OH)4-xFx] x = 0.0-1.0
Hongu, H.; Yoshiasa, A.; Teshima, A.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R.; Journal of Mineralogical and Petrological Sciences 113 (2018) 152–158; doi:

data_1549764
_publ_section_title
;
 Crystal structure refinement and chemical formula of prosopite,
 CaAl2F4[(OH)4-xFx] x = 0.0-1.0
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              152
_journal_page_last               158
_journal_volume                  113
_journal_year                    2018
_chemical_formula_sum            'Al2 Ca0.96 F4.28 H3.72 O3.72 Sr0.04'
_chemical_name_common            prosopite
_chemical_name_mineral           prosopite
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 94.919(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7103(3)
_cell_length_b                   11.1619(5)
_cell_length_c                   7.3741(3)
_cell_volume                     550.28(4)
_cod_data_source_file            prosopite.cif
_cod_data_source_block           prosopite
_cod_original_formula_sum        'Ca0.96 Sr0.04 Al2.0 F4.28 O3.72 H3.72'
_cod_database_code               1549764
X-ray and neutron diffraction study of hemimorphite : Neutron result at 70 K
Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.; Proceedings of the Japan Academy, Series B 54 (1978) 577–582; doi:

data_1549772
_publ_section_title
;
 X-ray and neutron diffraction study of hemimorphite : Neutron result at
 70 K
;
_journal_name_full               'Proceedings of the Japan Academy, Series B'
_journal_page_first              577
_journal_page_last               582
_journal_volume                  54
_journal_year                    1978
_chemical_formula_sum            'H2 O5 Si Zn2'
_chemical_name_common            'hemimorphite at 70K'
_chemical_name_mineral           hemimorphite
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.366(1)
_cell_length_b                   10.714(1)
_cell_length_c                   5.113(1)
_cell_volume                     458.30(11)
_diffrn_ambient_temperature      70
_cod_data_source_file            hemimorphite-Takeuchi-ND70K.cif
_cod_data_source_block           hemimorphite_ND_70K
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549772