LMucko/crystallography-open-database huggingface dataset:
Crystal structure of the intermetallic compound lithium aluminum germanium, Li~16~Al~4~Ge~7~
Spina, Laurent; Tillard, Monique; Belin, Claude; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 453–454; doi:

data_8100799
_publ_section_title
;
Crystal structure of the intermetallic compound lithium aluminum germanium, 
Li~16~Al~4~Ge~7~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              453
_journal_page_last               454
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         ' Al4.00 Ge7.00 Li16.03 '
_chemical_formula_structural     'Li16 Al4 Ge7'
_chemical_formula_sum            'Al4 Ge7 Li16'
_chemical_formula_weight         727.11
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.193(2)
_cell_length_b                   6.193(2)
_cell_length_c                   12.267(3)
_cell_measurement_temperature    293
_cell_volume                     470.5
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.567
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        ' Al4 Ge7 Li16 '
_cod_database_code               8100799
Crystal structure of pentaterbium nonabromide monoethanide, Tb~5~Br~9~C~2~
Mattausch, Hansjürgen; Oeckler, Oliver; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 458–458; doi:

data_8100800
_publ_section_title
;
Crystal structure of pentaterbium nonabromide monoethanide, Tb~5~Br~9~C~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              458
_journal_page_last               458
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C4 Br18 Tb10'
_chemical_formula_sum            'C2 Br9 Tb5'
_chemical_formula_weight         3075.62
_chemical_name_common            Pentaterbium-Nonabromide-Monoethanide
_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                90.00
_cell_angle_beta                 120.675(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7562(7)
_cell_length_b                   16.4254(9)
_cell_length_c                   13.3043(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1833.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.570
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Tb5 Br9 C2'
_cod_database_code               8100800
Crystal structure of caesium niobium tungsten bronzes, Cs~0.23~(Nb~0.09~W~0.91~)O~3~ and Cs~0.29~(Nb~0.10~W~0.90~)O~3~
Dey, Kalpana Rani; Gesing, Thorsten M.; Rüscher, Claus H.; Hussain, Altaf; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 461–462; doi:10.1524/ncrs.2002.217.1.461

data_8100801
_publ_section_title
;
 Crystal structure of caesium niobium tungsten bronzes,
 Cs~0.23~(Nb~0.09~W~0.91~)O~3~ and Cs~0.29~(Nb~0.10~W~0.90~)O~3~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - New Crystal Structures
;
_journal_page_first              461
_journal_page_last               462
_journal_paper_doi               10.1524/ncrs.2002.217.1.461
_journal_volume                  217
_journal_year                    2002
_chemical_formula_analytical     Cs0.23Nb0.11W0.89O3
_chemical_formula_moiety         Cs0.25Nb0.1W0.9O3
_chemical_formula_structural     'Cs0.25 (Nb0.1W0.9) O3'
_chemical_formula_sum            'Cs0.25 Nb0.1 O3 W0.9'
_chemical_formula_weight         255.98
_chemical_name_common            'Tungsten bronze'
_chemical_name_structure_type    'hexagonal tungsten bronze'
_space_group_crystal_system      hexagonal
_space_group_IT_number           193
_space_group_name_Hall           '-P 6c 2'
_space_group_name_H-M_alt        'P 63/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   7.3998(2)
_cell_length_b                   7.3998(2)
_cell_length_c                   7.5732(2)
_cell_measurement_temperature    293(2)
_cell_volume                     359.13(1)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0440
_pd_proc_ls_prof_wR_expected     0.0177
_pd_proc_ls_prof_wR_factor       0.0623
_cod_depositor_comments
;
 Updating bibliography, space group information and adding the explicit
 space group operation list.

 Antanas Vaitkus,
 2018-07-18
;
_cod_original_formula_sum        'Cs0.25 Nb0.1 W0.9 O3'
_cod_database_code               8100801
_pd_proc_ls_prof_r_factor_on_i   0.0259
_pd_proc_ls_prof_r_factor_on_f   0.0121
Crystal structure of caesium niobium tungsten bronzes, Cs~0.23~(Nb~0.09~W~0.91~)O~3~ and Cs~0.29~(Nb~0.10~W~0.90~)O~3~
Dey, Kalpana Rani; Gesing, Thorsten M.; Rüscher, Claus H.; Hussain, Altaf; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 461–462; doi:10.1524/ncrs.2002.217.1.461

data_8100802
_publ_section_title
;
 Crystal structure of caesium niobium tungsten bronzes,
 Cs~0.23~(Nb~0.09~W~0.91~)O~3~ and Cs~0.29~(Nb~0.10~W~0.90~)O~3~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - New Crystal Structures
;
_journal_page_first              461
_journal_page_last               462
_journal_paper_doi               10.1524/ncrs.2002.217.1.461
_journal_volume                  217
_journal_year                    2002
_chemical_formula_analytical     Cs0.29Nb0.12W0.88O3
_chemical_formula_moiety         Cs0.3Nb0.1W0.9O3
_chemical_formula_structural     'Cs0.3 (Nb0.1W0.9) O3'
_chemical_formula_sum            'Cs0.3 Nb0.1 O3 W0.9'
_chemical_formula_weight         262.63
_chemical_name_common            'Tungsten bronze'
_chemical_name_structure_type    'hexagonal tungsten bronze'
_space_group_crystal_system      hexagonal
_space_group_IT_number           193
_space_group_name_Hall           '-P 6c 2'
_space_group_name_H-M_alt        'P 63/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   7.3992(2)
_cell_length_b                   7.3992(2)
_cell_length_c                   7.5867(2)
_cell_measurement_temperature    293(2)
_cell_volume                     359.71(1)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0569
_pd_proc_ls_prof_wR_expected     0.0189
_pd_proc_ls_prof_wR_factor       0.0804
_cod_depositor_comments
;
 Updating bibliography, space group information and adding the explicit
 space group operation list.

 Antanas Vaitkus,
 2018-07-18
;
_cod_original_formula_sum        'Cs0.3 Nb0.1 W0.9 O3'
_cod_database_code               8100802
_pd_proc_ls_prof_r_factor_on_i   0.0278
_pd_proc_ls_prof_r_factor_on_f   0.0140
Crystal structure of dibarium pentaborate chloride, Ba~2~B~5~O~9~Cl
Held, Peter; Liebertz, Josef; Bohatý, Ladislav; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 463–464; doi:

data_8100803
_publ_section_title
;
Crystal structure of dibarium pentaborate chloride, Ba~2~B~5~O~9~Cl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              463
_journal_page_last               464
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '(Ba 2+)2 (B5 O9 3-) (Cl 1-)'
_chemical_formula_sum            'B5 Ba2 Cl O9'
_chemical_formula_weight         508.15
_chemical_name_common            'dibarium pentaborate chloride'
_chemical_name_systematic        'dibarium pentaborate chloride'
_space_group_IT_number           34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6358(9)
_cell_length_b                   11.583(1)
_cell_length_c                   6.6823(7)
_cell_measurement_temperature    293(2)
_cell_volume                     900.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.748
_refine_diff_density_rms         0.269
_cod_original_formula_sum        'B5 Ba2 Cl1 O9'
_cod_database_code               8100803
Crystal structure of calcium iron zinc catena-disilicate, Ca(Fe~0.52~Zn~0.48~)Si~2~O~6~
Heuer, Matthias; Huber, Alexandra; Bromiley, Geoffrey; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 465–466; doi:

data_8100804
_publ_section_title
;
Crystal structure of calcium iron zinc catena-disilicate, 
Ca(Fe~0.52~Zn~0.48~)Si~2~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              465
_journal_page_last               466
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ca0.98 (Fe0.59 Zn0.46) Si1.98 O6'
_chemical_formula_sum            'Ca0.98 Fe0.59 O6 Si1.98 Zn0.46'
_chemical_formula_weight         253.92
_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                90.000(10)
_cell_angle_beta                 105.340(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   9.8206(8)
_cell_length_b                   8.9966(8)
_cell_length_c                   5.2487(4)
_cell_measurement_temperature    293(2)
_cell_volume                     447.21(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Ca0.98 Fe0.59 Zn0.46 Si1.98 O6'
_cod_database_code               8100804
Crystal structure of calcium iron zinc catena-disilicate, Ca(Fe~0.19~Zn~0.81~)Si~2~O~6~
Heuer, Matthias; Huber, Alexandra; Redhammer, Günther J.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 467–468; doi:

data_8100805
_publ_section_title
;
Crystal structure of calcium iron zinc catena-disilicate, 
Ca(Fe~0.19~Zn~0.81~)Si~2~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              467
_journal_page_last               468
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ca1.00 (Fe0.21 Zn0.85) Si1.97 O6'
_chemical_formula_sum            'Ca Fe0.21 O6 Si1.97 Zn0.85'
_chemical_formula_weight         258.71
_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                90.000(10)
_cell_angle_beta                 105.660(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   9.8093(7)
_cell_length_b                   8.9817(7)
_cell_length_c                   5.2527(4)
_cell_measurement_temperature    293(2)
_cell_volume                     445.61(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.856
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Ca1.00 Fe0.21 Zn0.85 Si1.97 O6'
_cod_database_code               8100805
Refinement of the crystal structure of potassium triyttrium decafluoride, KY~3~F~10~
Grzechnik, Andrzej; Nuss, Jürgen; Friese, Karen; Gesland, Jean-Yves; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 460–460; doi:

data_8100806
_publ_section_title
;
Refinement of the crystal structure of potassium triyttrium decafluoride, 
KY~3~F~10~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              460
_journal_page_last               460
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'K Y3 F10'
_chemical_formula_structural     'K Y3 F10'
_chemical_formula_sum            'F10 K Y3'
_chemical_formula_weight         495.83
_chemical_name_common            'potassium triyttrium decafluoride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.553(1)
_cell_length_b                   11.553(1)
_cell_length_c                   11.553(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1541.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.272
_cod_original_formula_sum        'F10 K1 Y3'
_cod_database_code               8100806
Crystal structure of dicalcium trinitrido monovanadate(V), Ca~2~[VN~3~]
Zherebtsov, D. A.; Akselrud, L. G.; Niewa, R.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 469–469; doi:

data_8100807
_publ_section_title
;
Crystal structure of dicalcium trinitrido monovanadate(V), Ca~2~[VN~3~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              469
_journal_page_last               469
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     Ca2VN3
_chemical_formula_sum            'Ca2 N3 V'
_chemical_formula_weight         173.12
_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                 92.342(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.59538(5)
_cell_length_b                   10.41027(1)
_cell_length_c                   11.62243(1)
_cell_measurement_temperature    293(2)
_cell_volume                     676.43(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.3998(1)
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100807
Crystal structure of indium monosulfide, InS, at 7.9 GPa
Schwarz, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 470–470; doi:

data_8100808
_publ_section_title
;
Crystal structure of indium monosulfide, InS, at 7.9 GPa
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              470
_journal_page_last               470
_journal_volume                  217
_journal_year                    2002
_chemical_formula_analytical     InS
_chemical_formula_moiety         InS
_chemical_formula_structural     InS
_chemical_formula_sum            'In S'
_chemical_formula_weight         146.89
_chemical_name_common            'Indium(II) sulfide'
_chemical_name_structure_type    'Indium sulfide'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.880(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   3.8630(8)
_cell_length_b                   10.7668(9)
_cell_length_c                   3.8554(7)
_cell_measurement_temperature    295(2)
_cell_volume                     160.33(8)
_pd_proc_ls_prof_R_factor        0.062
_pd_proc_ls_prof_wR_factor       0.120
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100808
Crystal structure of rubidium dithiotricuprate, RbCu~3~S~2~
Klepp, O. Kurt; Sing, Martin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 474–474; doi:

data_8100809
_publ_section_title
;
Crystal structure of rubidium dithiotricuprate, RbCu~3~S~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              474
_journal_page_last               474
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     RbCu3S2
_chemical_formula_sum            'Cu3 Rb S2'
_chemical_formula_weight         340.22
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.23(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.813(8)
_cell_length_b                   3.941(2)
_cell_length_c                   8.364(5)
_cell_measurement_temperature    294
_cell_volume                     452.0(8)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.00
_refine_ls_R_factor_obs          0.035
_refine_ls_wR_factor_obs         0.033
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Cu3 Rb1 S2'
_cod_database_code               8100809
Crystal structure of tetrarubidium tetrathiostannate(IV), Rb~4~SnS~4~
Klepp, O. Kurt; Fabian, Ferdinand; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 475–476; doi:

data_8100810
_publ_section_title
;
Crystal structure of tetrarubidium tetrathiostannate(IV), Rb~4~SnS~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              475
_journal_page_last               476
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Rb4 Sn S4'
_chemical_formula_sum            'Rb4 S4 Sn'
_chemical_formula_weight         588.83
_space_group_crystal_system      cubic
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.4524(7)
_cell_length_b                   13.4524(7)
_cell_length_c                   13.4524(7)
_cell_measurement_temperature    294
_cell_volume                     2434.4(4)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    3.21
_refine_ls_R_factor_obs          0.036
_refine_ls_wR_factor_obs         0.028
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               8100810
Crystal structure of ammonium hexaaquacobalt(II) selenate, (NH~4~) ~2~Co(SeO4)~2~ · 6H~2~O, and of ammonium hexaaquazinc selenate, (NH~4~)~2~Zn(SeO~4~)~2~ ·~ ~6H~2~O, hydrogen bonds in two ammonium selenate Tutton's salts
Fleck, Michel; Kolitsch, Uwe; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 471–473; doi:

data_8100811
_publ_section_title
;
Crystal structure of ammonium hexaaquacobalt(II) selenate, (NH~4~)
~2~Co(SeO4)~2~ &#x00B7; 6H~2~O, and of ammonium hexaaquazinc selenate, 
(NH~4~)~2~Zn(SeO~4~)~2~ &#x00B7;~ ~6H~2~O, hydrogen bonds in two ammonium 
selenate Tutton's salts
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              471
_journal_page_last               473
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '2(N H4), Co, 2(Se O4), 6(H2 O)'
_chemical_formula_structural     '2(N H4)Co(Se O4)2 . 6(H2 O)'
_chemical_formula_sum            'Co H20 N2 O14 Se2'
_chemical_formula_weight         489.03
_chemical_name_common            'ammonium hexaaquacobalt(II) selenate'
_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                90.00
_cell_angle_beta                 106.38(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.3770(10)
_cell_length_b                   12.679(3)
_cell_length_c                   9.402(2)
_cell_measurement_temperature    293(2)
_cell_volume                     729.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.227
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H20 Co N2 O14 Se2'
_cod_database_code               8100811
Crystal structure of ammonium hexaaquacobalt(II) selenate, (NH~4~) ~2~Co(SeO4)~2~ · 6H~2~O, and of ammonium hexaaquazinc selenate, (NH~4~)~2~Zn(SeO~4~)~2~ ·~ ~6H~2~O, hydrogen bonds in two ammonium selenate Tutton's salts
Fleck, Michel; Kolitsch, Uwe; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 471–473; doi:

data_8100812
_publ_section_title
;
Crystal structure of ammonium hexaaquacobalt(II) selenate, (NH~4~)
~2~Co(SeO4)~2~ &#x00B7; 6H~2~O, and of ammonium hexaaquazinc selenate, 
(NH~4~)~2~Zn(SeO~4~)~2~ &#x00B7;~ ~6H~2~O, hydrogen bonds in two ammonium 
selenate Tutton's salts
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              471
_journal_page_last               473
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '2(N H4), Zn, 2(Se O4), 6(H2 O)'
_chemical_formula_structural     '2(N H4)Zn(Se O4)2 . 6(H2 O)'
_chemical_formula_sum            'H20 N2 O14 Se2 Zn'
_chemical_formula_weight         495.47
_chemical_name_common            'ammonium hexaaquazinc selenate'
_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                90.00
_cell_angle_beta                 106.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.3830(10)
_cell_length_b                   12.666(3)
_cell_length_c                   9.387(2)
_cell_measurement_temperature    293(2)
_cell_volume                     728.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.258
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100812