LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of rare earth faujasite-type zeolites
Olson, D. H.; Kokotailo, G. T.; Charnell, J. F.; Journal of Colloid and Interface Science 28 (1968) 305–314; doi:10.1016/0021-9797(68)90134-3

data_1541529
_publ_section_title
;
 The crystal chemistry of rare earth faujasite-type zeolites
;
_journal_issue                   2
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              305
_journal_page_last               314
_journal_paper_doi               10.1016/0021-9797(68)90134-3
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum
'Al35.52 Ce5.76 H114.56 Na18.24 O441.28 Si156.48'
_chemical_name_systematic
'Na18.24 Ce5.76 Al35.52 Si156.48 O384 (H2 O)57.28'
_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            1
_cell_length_a                   24.69
_cell_length_b                   24.69
_cell_length_c                   24.69
_cell_volume                     15050.928
_citation_journal_id_ASTM        JCISA5
_cod_data_source_file            Olson_JCISA5_1968_592.cif
_cod_data_source_block           H114.56Al35.52Ce5.76Na18.24O441.28Si156.48
_cod_original_cell_volume        15050.93
_cod_original_formula_sum
'H114.56 Al35.52 Ce5.76 Na18.24 O441.28 Si156.48'
_cod_database_code               1541529
The structure of bytownite (An85). A new refinement.
Chiari, G.; Benna, P.; Bruno, E.; Zeitschrift fuer Kristallographie (149,1979-) 169 (1984) 35–49; doi:

data_8104344
_publ_section_title
;
 The structure of bytownite (An85). A new refinement.
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              35
_journal_page_last               49
_journal_volume                  169
_journal_year                    1984
_chemical_formula_sum            'Al1.86 Ca0.85 Na0.14 O8 Si2.14'
_chemical_name_systematic        'Ca.85 Na.14 Al1.86 Si2.14 O8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.37
_cell_angle_beta                 116.04
_cell_angle_gamma                90.87
_cell_formula_units_Z            8
_cell_length_a                   8.188
_cell_length_b                   12.882
_cell_length_c                   14.196
_cell_volume                     1341.633
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Chiari_ZEKRDZ_1984_1972.cif
_cod_data_source_block           Al1.86Ca0.85Na0.14O8Si2.14
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_database_code               8104344
The crystal chemistry of rare earth faujasite-type zeolites
Olson, D. H.; Kokotailo, G. T.; Charnell, J. F.; Journal of Colloid and Interface Science 28 (1968) 305–314; doi:10.1016/0021-9797(68)90134-3

data_1541530
_publ_section_title
;
 The crystal chemistry of rare earth faujasite-type zeolites
;
_journal_issue                   2
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              305
_journal_page_last               314
_journal_paper_doi               10.1016/0021-9797(68)90134-3
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Al24.56 Ce5.76 H16 Na7.28 O200 Si71.44'
_chemical_name_systematic        'Na7.28 Ce5.76 Al24.56 Si71.44 O192 (H2 O)8'
_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            2
_cell_length_a                   24.69
_cell_length_b                   24.69
_cell_length_c                   24.69
_cell_volume                     15050.928
_citation_journal_id_ASTM        JCISA5
_cod_data_source_file            Olson_JCISA5_1968_594.cif
_cod_data_source_block           H16Al24.56Ce5.76Na7.28O200Si71.44
_cod_original_cell_volume        15050.93
_cod_original_formula_sum        'H16 Al24.56 Ce5.76 Na7.28 O200 Si71.44'
_cod_database_code               1541530
Synthesis and characterization of molybdenum(VI) oxide sulfates and crystal structures of two polymorphs of Mo O2 (S O4)
Christiansen, A.F.; Fjellvag, H.; Kjekshus, A.; Klewe, B.; Journal of the Chemical Society. Dalton Transactions 2001 (2001) 806–815; doi:

data_7037802
_publ_section_title
;
 Synthesis and characterization of molybdenum(VI) oxide sulfates and
 crystal structures of two polymorphs of Mo O2 (S O4)
;
_journal_name_full
'Journal of the Chemical Society. Dalton Transactions'
_journal_page_first              806
_journal_page_last               815
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_sum            'Mo O6 S'
_chemical_name_systematic        'Mo O2 (S O4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   24.827
_cell_length_b                   8.592
_cell_length_c                   12.294
_cell_volume                     2622.477
_citation_journal_id_ASTM        JCSDAA
_cod_data_source_file            Christiansen_JCSDAA_2001_161.cif
_cod_data_source_block           Mo1O6S1
_cod_original_formula_sum        'Mo1 O6 S1'
_cod_database_code               7037802
The crystal chemistry of rare earth faujasite-type zeolites
Olson, D. H.; Kokotailo, G. T.; Charnell, J. F.; Journal of Colloid and Interface Science 28 (1968) 305–314; doi:10.1016/0021-9797(68)90134-3

data_1541531
_publ_section_title
;
 The crystal chemistry of rare earth faujasite-type zeolites
;
_journal_issue                   2
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              305
_journal_page_last               314
_journal_paper_doi               10.1016/0021-9797(68)90134-3
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Al21.745 H13 La8.25 O104 Si26.23'
_chemical_name_systematic
'La8.25 (Al21.745 Si26.23 O96) (O H)3 (H2 O)5'
_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            4
_cell_length_a                   25.09
_cell_length_b                   25.09
_cell_length_c                   25.09
_cell_volume                     15794.358
_citation_journal_id_ASTM        JCISA5
_cod_data_source_file            Olson_JCISA5_1968_595.cif
_cod_data_source_block           H13Al21.745La8.25O104Si26.23
_cod_original_cell_volume        15794.36
_cod_original_formula_sum        'H13 Al21.745 La8.25 O104 Si26.23'
_cod_database_code               1541531
Etude du compose Ca3 Fe2 (Si O4)1.15 (O H)7.4 par absorption infrarouge et diffraction des rayons X et des neutrons
Cohen-Addad, C.; Acta Crystallographica A (24,1968-38,1982) 27 (1971) 68–70; doi:

data_2311057
_publ_section_title
;
 Etude du compose Ca3 Fe2 (Si O4)1.15 (O H)7.4 par absorption infrarouge
 et diffraction des rayons X et des neutrons
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              68
_journal_page_last               70
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Ca3 Fe2 H7.4 O12 Si1.15'
_chemical_name_systematic        'Ca3 Fe2 Si1.15 O4.6 (O H)7.4'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.49
_cell_length_b                   12.49
_cell_length_c                   12.49
_cell_volume                     1948.441
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Cohen-Addad_ACACBN_1971_1245.cif
_cod_data_source_block           H7.4Ca3Fe2O12Si1.15
_cod_original_formula_sum        'H7.4 Ca3 Fe2 O12 Si1.15'
_cod_database_code               2311057
The crystal chemistry of rare earth faujasite-type zeolites
Olson, D. H.; Kokotailo, G. T.; Charnell, J. F.; Journal of Colloid and Interface Science 28 (1968) 305–314; doi:10.1016/0021-9797(68)90134-3

data_1541532
_publ_section_title
;
 The crystal chemistry of rare earth faujasite-type zeolites
;
_journal_issue                   2
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              305
_journal_page_last               314
_journal_paper_doi               10.1016/0021-9797(68)90134-3
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Al21.6 H16 La7.52 O104 Si26.4'
_chemical_name_systematic        'La7.52 (Al21.6 Si26.4 O96) (H2 O)8'
_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            4
_cell_length_a                   24.98
_cell_length_b                   24.98
_cell_length_c                   24.98
_cell_volume                     15587.530
_citation_journal_id_ASTM        JCISA5
_cod_data_source_file            Olson_JCISA5_1968_596.cif
_cod_data_source_block           H16Al21.6La7.52O104Si26.4
_cod_original_cell_volume        15587.53
_cod_original_formula_sum        'H16 Al21.6 La7.52 O104 Si26.4'
_cod_database_code               1541532
The deuterium-atom positions in deuterated molybdic acid, Mo O3 (D2 O)2, by powder neutron diffraction
Crouch-Baker, S.; Dickens, P.G.; Acta Crystallographica C (39,1983-) 40 (1984) 1121–1124; doi:

data_2020371
_publ_section_title
;
 The deuterium-atom positions in deuterated molybdic acid, Mo O3 (D2 O)2,
 by powder neutron diffraction
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1121
_journal_page_last               1124
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'D4 Mo O5'
_chemical_name_systematic        'Mo O3 (D2 O)2'
_space_group_IT_number           14
_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                 91.62
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.487
_cell_length_b                   13.85
_cell_length_c                   10.617
_cell_volume                     1541.449
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Crouch-Baker_ACSCEE_1984_1340.cif
_cod_data_source_block           D4Mo1O5
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'D4 Mo1 O5'
_cod_database_code               2020371
Crystal structure of the zeolite nickel faujasite
Olson, D.H.; Journal of Physical Chemistry 72 (1968) 4366–4373; doi:

data_1541533
_publ_section_title
;
 Crystal structure of the zeolite nickel faujasite
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              4366
_journal_page_last               4373
_journal_volume                  72
_journal_year                    1968
_chemical_formula_sum            'Al58.0032 Ni23.84 O391.68 Si133.997'
_chemical_name_systematic        'Ca5 Ni24 Al58 Si134 O384 (H2 O)7.68'
_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            1
_cell_length_a                   24.41
_cell_length_b                   24.41
_cell_length_c                   24.41
_cell_volume                     14544.652
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Olson_JPCHAX_1968_759.cif
_cod_data_source_block           Al58.0032Ni23.84O391.68Si133.997
_cod_original_cell_volume        14544.65
_cod_database_code               1541533
The Hydrated Tetrafluorides of Uranium and Plutonium.
Dawson, J.K.; d'Eye, R.W.M.; Truswell, A.E.; Journal of the Chemical Society 1954 (1954) 3922–3929; doi:

data_1541534
_publ_section_title
;
 The Hydrated Tetrafluorides of Uranium and Plutonium.
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              3922
_journal_page_last               3929
_journal_volume                  1954
_journal_year                    1954
_chemical_formula_sum            'F4 H4 O2 U'
_chemical_name_systematic        'U F4 (H2 O)2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.69
_cell_length_b                   5.69
_cell_length_c                   5.69
_cell_volume                     184.220
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Dawson_JCSOA9_1954_9.cif
_cod_data_source_block           H4F4O2U1
_cod_original_cell_volume        184.22
_cod_original_formula_sum        'H4 F4 O2 U1'
_cod_database_code               1541534
Crystal structure of cerium(III) exchanged faujasite
Olson, D.H.; Kokotailo, G.T.; Charnell, J.F.; Nature (London) 215 (1967) 270–271; doi:

data_1541535
_publ_section_title
;
 Crystal structure of cerium(III) exchanged faujasite
;
_journal_name_full               'Nature (London)'
_journal_page_first              270
_journal_page_last               271
_journal_volume                  215
_journal_year                    1967
_chemical_formula_sum
'Al59 Ca11.74 Ce5.76 H114.56 Na18.24 O441.28 Si133'
_chemical_name_systematic
;
Na18.24 Ca11.74 Ce5.76 (Al59 Si133 O384) (H2 O)57.28
;
_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            1
_cell_length_a                   24.6
_cell_length_b                   24.6
_cell_length_c                   24.6
_cell_volume                     14886.936
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Olson_NATUAS_1967_760.cif
_cod_data_source_block           H114.56Al59Ca11.74Ce5.76Na18.24O441.28Si133
_cod_original_cell_volume        14886.94
_cod_original_formula_sum
'H114.56 Al59 Ca11.74 Ce5.76 Na18.24 O441.28 Si133'
_cod_database_code               1541535
Structural variation in the Y3-c Prc Fe4 O12 garnet system
Dernier, P.D.; Gyorgy, E.M.; Grodkiewicz, W.H.; Journal of Solid State Chemistry 10 (1974) 122–127; doi:

data_1541536
_publ_section_title
;
 Structural variation in the Y3-c Prc Fe4 O12 garnet system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              122
_journal_page_last               127
_journal_volume                  10
_journal_year                    1974
_chemical_formula_sum            'Fe4.2 O12 Pr0.7 Sc0.8 Y2.3'
_chemical_name_systematic        'Y2.3 Pr0.7 Sc0.8 Fe4.2 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.518
_cell_length_b                   12.518
_cell_length_c                   12.518
_cell_volume                     1961.575
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dernier_JSSCBI_1974_1601.cif
_cod_data_source_block           Fe4.2O12Pr0.7Sc0.8Y2.3
_cod_original_cell_volume        1961.574
_cod_database_code               1541536
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
Perrault, G.; Canadian Mineralogist 9 (1968) 383–402; doi:

data_1541537
_publ_section_title
;
 La composition chimique et la structure cristalline du pyrochlore d'Oka,
 P.Q.
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum
'Ca11.01 Ce1.36 F6.34 Fe0.75 H0.41 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24'
_chemical_name_systematic
;
(Na2.35 Ca11.01 Sr0.14 Mn0.032 Mg0.11 Ce1.36 La0.27 Nd0.34 Y0.016 U0.064 
Th0.13 Te0.016) (Nb11.62 Ta0.3 Ti2.85 Zr0.24 Fe0.75) O49.25 (O H)0.41 F6.34
;
_space_group_IT_number           227
_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            1
_cell_length_a                   10.43
_cell_length_b                   10.43
_cell_length_c                   10.43
_cell_volume                     1134.627
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Perrault_CAMIA6_1968_89.cif
_cod_data_source_block
H0.41Ca11.01Ce1.36F6.34Fe0.75La0.27Mg0.11Mn0.032Na2.35Nb11.62Nd0.34O49.66Sr0.14Ta0.3Te0.016Th0.13Ti2.85U0.064Y0.016Zr0.24
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum
;
H0.41 Ca11.01 Ce1.36 F6.34 Fe0.75 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 
O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24
;
_cod_database_code               1541537
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
Perrault, G.; Canadian Mineralogist 9 (1968) 383–402; doi:

data_1541538
_publ_section_title
;
 La composition chimique et la structure cristalline du pyrochlore d'Oka,
 P.Q.
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum
'Ca9.35 Ce1.38 F6.37 Fe0.59 H0.61 La0.21 Mn0.016 Na5.06 Nb12.7 Nd0.19 O49.65 Sn0.048 Sr0.096 Ta0.11 Ti2.24 Y0.032 Zr0.16'
_chemical_name_systematic
;
(Na5.06 Ca9.35 Sr0.096 Mn0.016 Ce1.38 La0.21 Nd0.19 Y0.032) (Nb12.7 Ta0.11 
Ti2.24 Zr0.16 Sn0.048 Fe0.59) O49.04 (O H)0.61 F6.37
;
_space_group_IT_number           227
_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            1
_cell_length_a                   10.393
_cell_length_b                   10.393
_cell_length_c                   10.393
_cell_volume                     1122.594
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Perrault_CAMIA6_1968_90.cif
_cod_data_source_block
H0.61Ca9.35Ce1.38F6.37Fe0.59La0.21Mn0.016Na5.06Nb12.7Nd0.19O49.65Sn0.048Sr0.096Ta0.11Ti2.24Y0.032Zr0.16
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum
;
H0.61 Ca9.35 Ce1.38 F6.37 Fe0.59 La0.21 Mn0.016 Na5.06 Nb12.7 Nd0.19 O49.65 
Sn0.048 Sr0.096 Ta0.11 Ti2.24 Y0.032 Zr0.16
;
_cod_database_code               1541538
La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.
Perrault, G.; Canadian Mineralogist 9 (1968) 383–402; doi:

data_1541539
_publ_section_title
;
 La composition chimique et la structure cristalline du pyrochlore d'Oka,
 P.Q.
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum
'Ca9.56 Ce0.7 F3.44 Fe0.41 H1.2 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5'
_chemical_name_systematic
;
(Na5.04 Ca9.56 Sr0.22 Mn0.016 Mg0.4 Ce0.7 La0.13 Nd0.33 Y0.016 Th0.34 Te0.016) 
(Nb12.98 Ta0.048 Ti1.99 Zr0.5 Fe0.41) O50.67 (O H)1.2 F3.44
;
_space_group_IT_number           227
_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            1
_cell_length_a                   10.428
_cell_length_b                   10.428
_cell_length_c                   10.428
_cell_volume                     1133.974
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Perrault_CAMIA6_1968_91.cif
_cod_data_source_block
H1.2Ca9.56Ce0.7F3.44Fe0.41La0.13Mg0.4Mn0.016Na5.04Nb12.98Nd0.33O51.87Sr0.22Ta0.048Te0.016Th0.34Ti1.99Y0.016Zr0.5
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum
;
H1.2 Ca9.56 Ce0.7 F3.44 Fe0.41 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 
O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5
;
_cod_database_code               1541539
A hydrothermal investigation of the 1/2 V2O5 - H2C2O4 / H3PO4 / NH4OH system: synthesis and structures of (NH4)VO PO4 . 1.5(H2O), (NH4)0.5VOPO4 . 1.5(H2O), (NH4)2(VO(H2O)3)2 (VO(H2O))(VO(PO4)2)2 . 3(H2O), (NH4)2(VO(HPO4))2(C2O4) . 5 H2O
Do, J.; Bontchev, R.P.; Jacobsen, A.J.; Inorganic Chemistry 39 (2000) 3230–3237; doi:

data_4344505
_publ_section_title
;
 A hydrothermal investigation of the 1/2 V2O5 - H2C2O4 / H3PO4 / NH4OH
 system: synthesis and structures of (NH4)VO PO4 . 1.5(H2O), (NH4)0.5VOPO4
 . 1.5(H2O), (NH4)2(VO(H2O)3)2 (VO(H2O))(VO(PO4)2)2 . 3(H2O),
 (NH4)2(VO(HPO4))2(C2O4) . 5 H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3230
_journal_page_last               3237
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'H22 N2 O28 P4 V5'
_chemical_name_systematic
'(N H4)2 (V O (H2 O)3)2 (V O (H2 O)) (V O (P O4)2)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.041
_cell_angle_beta                 65.653
_cell_angle_gamma                87.789
_cell_formula_units_Z            2
_cell_length_a                   10.2523
_cell_length_b                   12.2626
_cell_length_c                   12.3615
_cell_volume                     1311.322
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Do_INOCAJ_2000_229.cif
_cod_data_source_block           H22N2O28P4V5
_cod_database_code               4344505