LMucko/crystallography-open-database huggingface dataset:
X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)
Nolan, A.L.; Allen, C.C.; Burns, R.C.; Craig, D.C.; Lawrance, G.A.; Australian Journal of Chemistry 53 (2000) 59–66; doi:

data_1521676
_publ_section_title
;
 X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5
 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12
 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              59
_journal_page_last               66
_journal_volume                  53
_journal_year                    2000
_chemical_formula_sum            'Co K5 O46 W12'
_chemical_name_systematic        'K6 (Co W12 O40) (H2 O)16'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   19.118
_cell_length_b                   19.118
_cell_length_c                   12.383
_cell_volume                     3919.597
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Nolan_AJCHAS_2000_940.cif
_cod_data_source_block           Co1K5O46W12
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_original_formula_sum        'Co1 K5 O46 W12'
_cod_database_code               1521676
X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)
Nolan, A.L.; Allen, C.C.; Burns, R.C.; Lawrance, G.A.; Craig, D.C.; Australian Journal of Chemistry 53 (2000) 59–66; doi:

data_1521677
_publ_section_title
;
 X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5
 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12
 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              59
_journal_page_last               66
_journal_volume                  53
_journal_year                    2000
_chemical_formula_sum            'Co H6 K5 O43 W12'
_chemical_name_systematic        'K5 (Co W12 O40) (H2 O)3'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   19.111
_cell_length_b                   19.111
_cell_length_c                   12.509
_cell_volume                     3956.581
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Nolan_AJCHAS_2000_941.cif
_cod_data_source_block           H6Co1K5O43W12
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_original_formula_sum        'H6 Co1 K5 O43 W12'
_cod_database_code               1521677
The crystal structure of B5 H9 below the 136.7 K phase transition
Nordman, C.E.; Journal of Molecular Structure 485 (1999) 299–303; doi:

data_1521678
_publ_section_title
;
 The crystal structure of B5 H9 below the 136.7 K phase transition
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              299
_journal_page_last               303
_journal_volume                  485
_journal_year                    1999
_chemical_formula_sum            'B5 H9'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.201
_cell_length_b                   10.201
_cell_length_c                   9.996
_cell_volume                     1040.188
_citation_journal_id_ASTM        JMOSB4
_cod_data_source_file            Nordman_JMOSB4_1999_178.cif
_cod_data_source_block           H9B5
_cod_original_formula_sum        'H9 B5'
_cod_database_code               1521678
Crystal structure of Ce3 Ge1.11 In0.89 and related compounds
Nychyporuk, G.; Zaremba, V.; Pietraszko, A.; Stepien-Damm, J.; Kal'ichak, Ya.M.; Journal of Alloys Compd. 312 (2000) 154–157; doi:

data_1521679
_publ_section_title
;
 Crystal structure of Ce3 Ge1.11 In0.89 and related compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              154
_journal_page_last               157
_journal_volume                  312
_journal_year                    2000
_chemical_formula_sum            'Ce3 Ge1.11 In0.89'
_chemical_name_systematic        'Ce3 In0.89 Ge1.11'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.142
_cell_length_b                   12.142
_cell_length_c                   15.919
_cell_volume                     2346.909
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nychyporuk_JALCEU_2000_1437.cif
_cod_data_source_block           Ce3Ge1.11In0.89
_cod_database_code               1521679
Sodic - ferripedrizite, a new monoclinic amphibole bridging the magnesium - iron - manganese - lithium and the sodium calcium groups
Oberti, R.; Caballero, J.M.; Ottolini, L.; Lopez-Andres, S.; Herreros, V.; American Mineralogist 85 (2000) 578–585; doi:

data_1521680
_publ_section_title
;
 Sodic - ferripedrizite, a new monoclinic amphibole bridging the magnesium
 - iron - manganese - lithium and the sodium calcium groups
;
_journal_name_full               'American Mineralogist'
_journal_page_first              578
_journal_page_last               585
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Al0.21 Ca0.05 F0.84 Fe2.07 H1.16 Li2.19 Mg1.77 Na1.33 O23.16 Si8 Ti0.11'
_chemical_name_systematic
;
Na0.73 (Li1.35 Na0.6 Ca0.05) (Li0.84 Mg1.77 Fe2.07 Al0.21 Ti0.11) Si8 O22 ((O 
H)1.16 F0.84)
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.536
_cell_length_b                   17.797
_cell_length_c                   5.278
_cell_volume                     874.373
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Oberti_AMMIAY_2000_956.cif
_cod_data_source_block
H1.16Al0.21Ca0.05F0.84Fe2.07Li2.19Mg1.77Na1.33O23.16Si8Ti0.11
_cod_original_cell_volume        874.3728
_cod_original_formula_sum
;
H1.16 Al0.21 Ca0.05 F0.84 Fe2.07 Li2.19 Mg1.77 Na1.33 O23.16 Si8 Ti0.11
;
_cod_database_code               1521680
Structural aspects of Na V2 O5 under high pressure
Ohwada, K.; Nakao, H.; Fujii, Y.; Isobe, M.; Ueda, Y.; Journal of the Physical Society of Japan 68 (1999) 3286–3291; doi:

data_1521681
_publ_section_title
;
 Structural aspects of Na V2 O5 under high pressure
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3286
_journal_page_last               3291
_journal_volume                  68
_journal_year                    1999
_chemical_formula_sum            'Na O5 V2'
_chemical_name_systematic        'Na (V2 O5)'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.287
_cell_length_b                   3.621
_cell_length_c                   4.598
_cell_volume                     187.921
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Ohwada_JUPSAU_1999_425.cif
_cod_data_source_block           Na1O5V2
_cod_original_cell_volume        187.9213
_cod_original_sg_symbol_Hall     '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Na1 O5 V2'
_cod_database_code               1521681
Synthesis and crystal structure of Sr V4 O9 in a metastable state
Oka, Y.; Yao, T.; Maegawa, S.; Yamamoto, N.; Ueda, M.; Journal of Solid State Chemistry 149 (2000) 414–418; doi:

data_1521682
_publ_section_title
;
 Synthesis and crystal structure of Sr V4 O9 in a metastable state
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              414
_journal_page_last               418
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'O9 Sr V4'
_chemical_name_systematic        'Sr (V4 O9)'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.379
_cell_length_b                   8.379
_cell_length_c                   5.259
_cell_volume                     369.222
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Oka_JSSCBI_2000_1740.cif
_cod_data_source_block           O9Sr1V4
_cod_original_formula_sum        'O9 Sr1 V4'
_cod_database_code               1521682
Hydrothermal synthesis and crystal structure of a new barium vanadium bronze Ba1+x V8 O21 with a tunnel structure
Oka, Y.; Yao, T.; Yamamoto, N.; Journal of Solid State Chemistry 150 (2000) 330–335; doi:

data_1521683
_publ_section_title
;
 Hydrothermal synthesis and crystal structure of a new barium vanadium
 bronze Ba1+x V8 O21 with a tunnel structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              330
_journal_page_last               335
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Ba1.128 O21 V8'
_chemical_name_systematic        'Ba1.128 V8 O21'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.08
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.144
_cell_length_b                   3.596
_cell_length_c                   14.972
_cell_volume                     815.342
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Oka_JSSCBI_2000_1821.cif
_cod_data_source_block           Ba1.128O21V8
_cod_original_cell_volume        815.3417
_cod_database_code               1521683
Growth of Mx Ga2/3(1-x) Cr2 Se4 (M = Cd, Zn) single crystals by chemical vapour transport and their crystal structure
Okonska-Kozlowska, I.; Malicka, E.; Nagel, R.; Lutz, H.D.; Journal of Alloys Compd. 292 (1999) 90–95; doi:

data_1521684
_publ_section_title
;
 Growth of Mx Ga2/3(1-x) Cr2 Se4 (M = Cd, Zn) single crystals by chemical
 vapour transport and their crystal structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              90
_journal_page_last               95
_journal_volume                  292
_journal_year                    1999
_chemical_formula_sum            'Cd0.967 Cr2 Ga0.022 Se4'
_chemical_name_systematic        '(Cd0.967 Ga0.022) Cr2 Se4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.74
_cell_length_b                   10.74
_cell_length_c                   10.74
_cell_volume                     1238.833
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Okonska-Kozlowska_JALCEU_1999_18.cif
_cod_data_source_block           Cd0.967Cr2Ga0.022Se4
_cod_database_code               1521684
The crystal structure of lewisite, (Ca, Sb(3+), Fe(3+), Al, Na, Mn, (vac))2 (Sb(5+), Ti)2 O6 (O H)
Zubkova, N.V.; Pushcharovskii, D.Yu.; Atencio, D.; Arakcheeva, A.V.; Matioli, P.A.; Journal of Alloys Compd. 296 (2000) 75–79; doi:

data_1521685
_publ_section_title
;
 The crystal structure of lewisite, (Ca, Sb(3+), Fe(3+), Al, Na, Mn,
 (vac))2 (Sb(5+), Ti)2 O6 (O H)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              75
_journal_page_last               79
_journal_volume                  296
_journal_year                    2000
_chemical_formula_sum
'Al0.1 Ca0.91 Fe0.19 H Mn0.06 Na0.1 O7 Sb1.55 Ti0.72'
_chemical_name_systematic
;
(Ca0.91 Sb0.27 Fe0.19 Al0.10 Na0.10 Mn0.06) (Sb1.28 Ti0.72) O6 (O H)
;
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.311
_cell_length_b                   10.311
_cell_length_c                   10.311
_cell_volume                     1096.232
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Zubkova_JALCEU_2000_1190.cif
_cod_data_source_block           H1Al0.1Ca0.91Fe0.19Mn0.06Na0.1O7Sb1.55Ti0.72
_cod_original_formula_sum
'H1 Al0.1 Ca0.91 Fe0.19 Mn0.06 Na0.1 O7 Sb1.55 Ti0.72'
_cod_database_code               1521685
Crystal and magnetic structure of the Mn3 Pd5 phase
Kadar, G.; Kren, E.; Solid State Communications 11 (1972) 933–936; doi:

data_1521686
_publ_section_title
;
 Crystal and magnetic structure of the Mn3 Pd5 phase
;
_journal_name_full               'Solid State Communications'
_journal_page_first              933
_journal_page_last               936
_journal_volume                  11
_journal_year                    1972
_chemical_formula_sum            'Mn3 Pd5'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.072
_cell_length_b                   7.279
_cell_length_c                   4.044
_cell_volume                     237.610
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Kadar_SSCOA4_1972_1149.cif
_cod_data_source_block           Mn3Pd5
_cod_original_cell_volume        237.6096
_cod_database_code               1521686
The system niobium-sulfur
Kadijk, F.; Jellinek, F.; Journal of the Less-Common Metals 19 (1969) 421–430; doi:

data_1521687
_publ_section_title
;
 The system niobium-sulfur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              421
_journal_page_last               430
_journal_volume                  19
_journal_year                    1969
_chemical_formula_sum            'Nb2.66 S3.99'
_chemical_name_systematic        '(Nb2 S3)1.33'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.308
_cell_length_b                   3.308
_cell_length_c                   12.71
_cell_volume                     120.450
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kadijk_JCOMAH_1969_1393.cif
_cod_data_source_block           Nb2.66S3.99
_cod_original_cell_volume        120.4501
_cod_database_code               1521687
Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d
Olafsen, A.; Hauback, B.C.; Fjellvag, H.; Journal of Solid State Chemistry 151 (2000) 46–55; doi:

data_1521688
_publ_section_title
;
 Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              46
_journal_page_last               55
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Co3 Nd4 O10'
_chemical_name_systematic        'Nd4 Co3 O10'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.288
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3624
_cell_length_b                   5.4451
_cell_length_c                   27.238
_cell_volume                     795.307
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Olafsen_JSSCBI_2000_1879.cif
_cod_data_source_block           Co3Nd4O10
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1521688
Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d
Olafsen, A.; Fjellvag, H.; Hauback, B.C.; Journal of Solid State Chemistry 151 (2000) 46–55; doi:

data_1521689
_publ_section_title
;
 Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              46
_journal_page_last               55
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Nd4 Ni3 O10'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.312
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3675
_cell_length_b                   5.4548
_cell_length_c                   27.433
_cell_volume                     803.189
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Olafsen_JSSCBI_2000_1883.cif
_cod_data_source_block           Nd4Ni3O10
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1521689
Crystal structure of dehydrated Cs ZSM-5 (5.8 Al): evidence for nonrandom aluminium distribution
Olson, D.H.; Khosrovani, N.; Toby, B.H.; Peters, A.W.; J. Phys. Chem. B 104 (2000) 4844–4848; doi:

data_1521690
_publ_section_title
;
 Crystal structure of dehydrated Cs ZSM-5 (5.8 Al): evidence for nonrandom
 aluminium distribution
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              4844
_journal_page_last               4848
_journal_volume                  104
_journal_year                    2000
_chemical_formula_sum            'Al5.8 Cs5.32 O192 Si90.2'
_chemical_name_systematic        'Cs5.32 (Al5.8 Si90.2 O192)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   20.00449
_cell_length_b                   19.9229
_cell_length_c                   13.3929
_cell_volume                     5337.706
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Olson_JPCBFK_2000_1616.cif
_cod_data_source_block           Al5.8Cs5.32O192Si90.2
_cod_database_code               1521690
Neutron powder diffraction on Ce(11) B2 C2 and Nd(11) B2 C2: a new model for the tetragonal crystal structure
Onimaru, T.; Onodera, H.; Yamauchi, H.; Yamaguchi, Y.; Ohoyama, K.; Journal of the Physical Society of Japan 68 (1999) 2287–2291; doi:

data_1521691
_publ_section_title
;
 Neutron powder diffraction on Ce(11) B2 C2 and Nd(11) B2 C2: a new model
 for the tetragonal crystal structure
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2287
_journal_page_last               2291
_journal_volume                  68
_journal_year                    1999
_chemical_formula_sum            'C2 B2 Ce'
_chemical_name_systematic        'Ce B2 C2'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3958
_cell_length_b                   5.3958
_cell_length_c                   3.8442
_cell_volume                     111.923
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Onimaru_JUPSAU_1999_422.cif
_cod_data_source_block           C2B2Ce1
_cod_original_cell_volume        111.9226
_cod_original_formula_sum        'C2 B2 Ce1'
_cod_database_code               1521691
Neutron powder diffraction on Ce(11) B2 C2 and Nd(11) B2 C2: a new model for the tetragonal crystal structure
Onimaru, T.; Yamaguchi, Y.; Onodera, H.; Ohoyama, K.; Yamauchi, H.; Journal of the Physical Society of Japan 68 (1999) 2287–2291; doi:

data_1521692
_publ_section_title
;
 Neutron powder diffraction on Ce(11) B2 C2 and Nd(11) B2 C2: a new model
 for the tetragonal crystal structure
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2287
_journal_page_last               2291
_journal_volume                  68
_journal_year                    1999
_chemical_formula_sum            'C2 B2 Nd'
_chemical_name_systematic        'Nd B2 C2'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3814
_cell_length_b                   5.3814
_cell_length_c                   3.7657
_cell_volume                     109.053
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Onimaru_JUPSAU_1999_423.cif
_cod_data_source_block           C2B2Nd1
_cod_original_cell_volume        109.0527
_cod_original_formula_sum        'C2 B2 Nd1'
_cod_database_code               1521692
Neutron diffraction study on hydrogen bond structure in K3 H (Se O4)2 and K3 D (Se O4)2 crystals
Onoda-Yamamuro, N.; Yamamuro, O.; Matsuo, T.; Ichikawa, M.; Ibberson, R.M.; David, W.I.F.; Journal of Physics: Condensed Matter 12 (2000) 8559–8565; doi:

data_1521693
_publ_section_title
;
 Neutron diffraction study on hydrogen bond structure in K3 H (Se O4)2 and
 K3 D (Se O4)2 crystals
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8559
_journal_page_last               8565
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'D K3 O8 Se2'
_chemical_name_systematic        'K3 D (Se O4)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.617
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.08029
_cell_length_b                   5.87311
_cell_length_c                   14.86206
_cell_volume                     855.141
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Onoda-Yamamuro_JCOMEL_2000_1517.cif
_cod_data_source_block           D1K3O8Se2
_cod_original_cell_volume        855.1411
_cod_original_sg_symbol_Hall     '-C 2yc (z,y,-x)'
_cod_original_formula_sum        'D1 K3 O8 Se2'
_cod_database_code               1521693