LMucko/crystallography-open-database huggingface dataset:
Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~Ag~18~O~12~
Masse, R.; Tordjman, I.; Durif, A.; Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre 302 (1986) 631–633; doi:

data_1007180
_publ_section_title
;
 Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~Ag~18~O~12~
;
_journal_coden_ASTM              CRAMED
_journal_issue                   9
_journal_name_full
;
 Comptes Rendus des Seances de l'Academie des Sciences, Serie 2:
 Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre
;
_journal_page_first              631
_journal_page_last               633
_journal_volume                  302
_journal_year                    1986
_chemical_formula_structural     'Bi4 Ag18 O12'
_chemical_formula_sum            'Ag18 Bi4 O12'
_chemical_name_systematic        'Bismuth silver oxide (4/18/12)'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.630(4)
_cell_length_b                   14.229(5)
_cell_length_c                   23.91(3)
_cell_volume                     3616.5
_refine_ls_R_factor_all          0.057
_cod_duplicate_entry             1007165
_cod_database_code               1007180
Crystal data and structure of Nb~2~Co(P~2~O~7~)~3~ and Nb~2~Mg(P~2~O~7~)~3~
Averbuch-Pouchot, M T; Durif, A; Zeitschrift fuer Kristallographie (149,1979-) 180 (1987) 195–202; doi:

data_1007181
_publ_section_title
;
Crystal data and structure of Nb~2~Co(P~2~O~7~)~3~ and
Nb~2~Mg(P~2~O~7~)~3~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              195
_journal_page_last               202
_journal_volume                  180
_journal_year                    1987
_chemical_formula_structural     'Nb2 Co (P2 O7)3'
_chemical_formula_sum            'Co Nb2 O21 P6'
_chemical_name_systematic        'Diniobium cobalt tris(diphosphate)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 90.76(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.32(1)
_cell_length_b                   7.890(5)
_cell_length_c                   6.490(5)
_cell_volume                     784.4
_refine_ls_R_factor_all          0.043
_cod_database_code               1007181
Contribution to the Crystal Chemistry of M(I) M(II) P O~4~ Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)
Masse, R; Durif, A; Journal of Solid State Chemistry 73 (1988) 468–472; doi:10.1016/0022-4596(88)90132-6

data_1007182
_publ_section_title
;
Contribution to the Crystal Chemistry of M(I) M(II) P O~4~
Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              468
_journal_page_last               472
_journal_paper_doi               10.1016/0022-4596(88)90132-6
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'K Be P O4'
_chemical_formula_sum            'Be K O4 P'
_chemical_name_systematic        'Potassium beryllium phosphate'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.506(4)
_cell_length_b                   4.937(4)
_cell_length_c                   8.344(5)
_cell_volume                     350.4
_refine_ls_R_factor_all          0.043
_cod_database_code               1007182
Contribution to the Crystal Chemistry of M(I) M(II) P O~4~ Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)
Masse, R; Durif, A; Journal of Solid State Chemistry 73 (1988) 468–472; doi:10.1016/0022-4596(88)90132-6

data_1007183
_publ_section_title
;
Contribution to the Crystal Chemistry of M(I) M(II) P O~4~
Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              468
_journal_page_last               472
_journal_paper_doi               10.1016/0022-4596(88)90132-6
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Cs Be P O4'
_chemical_formula_sum            'Be Cs O4 P'
_chemical_name_systematic        'Caesium beryllium phosphate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.713(4)
_cell_length_b                   8.836(5)
_cell_length_c                   5.147(4)
_cell_volume                     396.3
_refine_ls_R_factor_all          0.027
_cod_database_code               1007183
A Copper(III) Periodate Peroxo Complex: K~4~ H~4~ Cu (I O~6~)~2~ O~2~ 6(H~2~ O)
Masse, R; Durif, A; Journal of Solid State Chemistry 73 (1988) 206–210; doi:10.1016/0022-4596(88)90070-9

data_1007184
_publ_section_title
;
A Copper(III) Periodate Peroxo Complex: K~4~ H~4~ Cu (I O~6~)~2~ O~2~
6(H~2~ O)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              206
_journal_page_last               210
_journal_paper_doi               10.1016/0022-4596(88)90070-9
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'K4 Cu (I O6 H2)2 (O2) (H2 O)6'
_chemical_formula_sum            'Cu H16 I2 K4 O20'
_chemical_name_systematic
;
Tetrapotassium bis(dihydrogeniodato(VII))cuprate(III) superoxide
hexahydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.2(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.650(2)
_cell_length_b                   9.780(2)
_cell_length_c                   7.710(2)
_cell_volume                     949.9
_refine_ls_R_factor_all          0.038
_cod_original_formula_sum        'H16 Cu I2 K4 O20'
_cod_database_code               1007184
Etude cristallographique du gallate de lithium et de sa solution solide avec l`aluminate
Joubert, J; Brunel, M; Waintal, A; Durif, A; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 256 (1963) 5324–5326; doi:

data_1007185
_publ_section_title
;
Etude cristallographique du gallate de lithium et de sa solution solide
avec l`aluminate
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              5324
_journal_page_last               5326
_journal_volume                  256
_journal_year                    1963
_chemical_formula_structural     'Ga5 Li O8'
_chemical_formula_sum            'Ga5 Li O8'
_chemical_name_systematic        'Lithium pentagallium oxide'
_space_group_IT_number           212
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.203
_cell_length_b                   8.203
_cell_length_c                   8.203
_cell_volume                     552.0
_cod_database_code               1007185
Structure cristalline du cyclohexaphosphate de cesium hexahydrate: Cs~6~ P~6~ O~18~ (H~2~ O)~6~ et donnees cristallographiques sur Rb~6~ P~6~ O~18~ (H~2~ O)~6~
Averbuch-Pouchot, M T; Durif, A; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 308 (1989) 1699–1702; doi:

data_1007186
_publ_section_title
;
Structure cristalline du cyclohexaphosphate de cesium hexahydrate:
Cs~6~ P~6~ O~18~ (H~2~ O)~6~ et donnees cristallographiques sur Rb~6~
P~6~ O~18~ (H~2~ O)~6~
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1699
_journal_page_last               1702
_journal_volume                  308
_journal_year                    1989
_chemical_formula_structural     'Cs6 (P6 O18) (H2 O)6'
_chemical_formula_sum            'Cs6 H12 O24 P6'
_chemical_name_systematic        'Caesium cyclo-hexaphosphate hexahydrate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.53(5)
_cell_angle_beta                 106.53(5)
_cell_angle_gamma                60.08(5)
_cell_formula_units_Z            1
_cell_length_a                   9.904(5)
_cell_length_b                   9.898(5)
_cell_length_c                   9.013(5)
_cell_volume                     706.7
_refine_ls_R_factor_all          0.032
_cod_original_formula_sum        'H12 Cs6 O24 P6'
_cod_database_code               1007186
Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium cyclo-hexaphosphate tellurate dihydrate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 179–181; doi:10.1107/s0108270189006190

data_1007187
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium
 cyclo-hexaphosphate tellurate dihydrate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              179
_journal_page_last               181
_journal_paper_doi               10.1107/s0108270189006190
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     '(N H4)6 (P6 O18) (Te (O H)6) (H2 O)2'
_chemical_formula_sum            'H34 N6 O26 P6 Te'
_chemical_name_systematic
;
Ammonium cyclo-hexaphosphate telluric acid dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.53(6)
_cell_angle_beta                 106.74(6)
_cell_angle_gamma                100.91(4)
_cell_formula_units_Z            1
_cell_length_a                   9.899(4)
_cell_length_b                   11.042(7)
_cell_length_c                   7.632(9)
_cell_volume                     714.2
_refine_ls_R_factor_all          0.018
_cod_depositor_comments
;
 Marking atoms 'O13', 'H16', 'H17' and 'O14' as belonging to disorder group
 '1' and '2' respectively.

 Antanas Vaitkus,
 2017-08-09

 Marking hydrogen atoms 'H16' and 'H17' as having the same occupancy 0.783(4)
 as the oxygen atom 'O13' that they are attached to.

 Antanas Vaitkus,
 2017-08-09

 Removing attached hydrogen atoms that are already expressed by explicit
 hydrogen atom coordinates.

 Antanas Vaitkus,
 2017-08-09
;
_cod_database_code               1007187
Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre 309 (1989) 25–28; doi:

data_1007188
_publ_section_title
;
 Determination des liaisons hydrogene dans le compose d'addition uree-
 acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
 Comptes Rendus des Seances de l'Academie des Sciences, Serie 2:
 Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre
;
_journal_page_first              25
_journal_page_last               28
_journal_volume                  309
_journal_year                    1989
_chemical_formula_structural     'Te(OH)6 (CO(NH2)2)2'
_chemical_formula_sum            'C2 H14 N4 O8 Te'
_chemical_name_systematic        'Telluric acid urea (1/2)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 129.15(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.815(8)
_cell_length_b                   8.882(5)
_cell_length_c                   10.020(5)
_cell_volume                     1022.5
_refine_ls_R_factor_all          0.031
_cod_database_code               1007188
Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre 309 (1989) 25–28; doi:

data_1007189
_publ_section_title
;
 Determination des liaisons hydrogene dans le compose d'addition uree-
 acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
 Comptes Rendus des Seances de l'Academie des Sciences, Serie 2:
 Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre
;
_journal_page_first              25
_journal_page_last               28
_journal_volume                  309
_journal_year                    1989
_chemical_formula_structural     'Te(OH)6 (CO(NH2)2)2'
_chemical_formula_sum            'C2 H14 N4 O8 Te'
_chemical_name_systematic        'Telluric acid urea (1/2)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 129.15(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.815(8)
_cell_length_b                   8.882(5)
_cell_length_c                   10.020(5)
_cell_volume                     1022.5
_refine_ls_R_factor_all          0.031
_cod_duplicate_entry             1007188
_cod_database_code               1007189
Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate
Durif, A; Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 46 (1990) 2026–2028; doi:

data_1007190
_publ_section_title
;
Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of
Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2026
_journal_page_last               2028
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     '(N H3 (O H))6 (P6 O18) (H2 O)4'
_chemical_formula_sum            'H32 N6 O28 P6'
_chemical_name_systematic
;
Hydroxylammonium cyclo-hexaphosphate tetrahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.39(5)
_cell_angle_beta                 100.30(5)
_cell_angle_gamma                96.02(5)
_cell_formula_units_Z            1
_cell_length_a                   10.365(5)
_cell_length_b                   9.278(4)
_cell_length_c                   7.280(3)
_cell_volume                     643.8
_refine_ls_R_factor_all          0.028
_cod_database_code               1007190
Crystal chemistry of cyclo-hexaphosphates. IX. Structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 965–968; doi:10.1107/s0108270189010371

data_1007191
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. IX. Structure of
 tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   6
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              965
_journal_page_last               968
_journal_paper_doi               10.1107/s0108270189010371
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     '(N H4)4 Mn2 (P6 O18) (C2 O4) (H2 O)6'
_chemical_formula_sum            'C2 H28 Mn2 N4 O28 P6'
_chemical_name_systematic
;
 Tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                99.92(5)
_cell_angle_beta                 105.88(5)
_cell_angle_gamma                100.08(5)
_cell_formula_units_Z            1
_cell_length_a                   9.747(3)
_cell_length_b                   9.751(3)
_cell_length_c                   7.689(3)
_cell_volume                     673.1
_refine_ls_R_factor_all          0.03
_cod_duplicate_entry             2000082
_cod_database_code               1007191
Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium dilithium cyclo-hexaphosphate octahydrate
Averbuch-Pouchot, M T; Durif, A; Acta Crystallographica C (39,1983-) 46 (1990) 968–970; doi:

data_1007192
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium
dilithium cyclo-hexaphosphate octahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              968
_journal_page_last               970
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     'Ca2 Li2 (P6 O18) (H2 O)8'
_chemical_formula_sum            'Ca2 H16 Li2 O26 P6'
_chemical_name_systematic
;
Dicalcium dilithium cyclo-hexaphosphate octahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.17(4)
_cell_angle_beta                 102.76(4)
_cell_angle_gamma                84.95(4)
_cell_formula_units_Z            1
_cell_length_a                   7.767(2)
_cell_length_b                   10.144(3)
_cell_length_c                   7.225(2)
_cell_volume                     535.6
_refine_ls_R_factor_all          0.023
_cod_original_formula_sum        'H16 Ca2 Li2 O26 P6'
_cod_database_code               1007192
Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate
Averbuch-Pouchot, M T; Durif, A; Acta Crystallographica C (39,1983-) 47 (1991) 932–936; doi:

data_1007193
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium
ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-
hexaphosphate hexahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              932
_journal_page_last               936
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Na2 (N H4)4 (P6 O18) (H2 O)2'
_chemical_formula_sum            'H20 N4 Na2 O20 P6'
_chemical_name_systematic
;
Disodium tetraammonium cyclo-hexaphosphate dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 101.87(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.363(7)
_cell_length_b                   11.580(12)
_cell_length_c                   6.809(5)
_cell_volume                     1031.1
_refine_ls_R_factor_all          0.023
_cod_database_code               1007193
Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate
Averbuch-Pouchot, M T; Durif, A; Acta Crystallographica C (39,1983-) 47 (1991) 932–936; doi:

data_1007194
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium
ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-
hexaphosphate hexahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              932
_journal_page_last               936
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Na4 Rb2 (P6 O18) (H2 O)6'
_chemical_formula_sum            'H12 Na4 O24 P6 Rb2'
_chemical_name_systematic
;
Tetrasodium dirubidium cyclo-hexaphosphate hexahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.92(4)
_cell_angle_beta                 102.29(4)
_cell_angle_gamma                85.00(4)
_cell_formula_units_Z            1
_cell_length_a                   7.532(3)
_cell_length_b                   9.752(3)
_cell_length_c                   8.730(3)
_cell_volume                     572.7
_refine_ls_R_factor_all          0.04
_cod_database_code               1007194
Crystal chemistry of cyclo-hexaphosphates. XI.Structure of ammoniumcopper cyclo-hexaphosphate octahydrate
Averbuch-Pouchot, M T; Durif, A; Acta Crystallographica C (39,1983-) 47 (1991) 1148–1150; doi:

data_1007195
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. XI.Structure of
ammoniumcopper cyclo-hexaphosphate octahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1148
_journal_page_last               1150
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Cu2 (N H4)2 (P6 O18) (H2 O)8'
_chemical_formula_sum            'Cu2 H24 N2 O26 P6'
_chemical_name_systematic
;
Dicopper diammonium cyclo-hexaphosphate octahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.23(5)
_cell_angle_beta                 107.98(5)
_cell_angle_gamma                83.1
_cell_formula_units_Z            1
_cell_length_a                   7.413(3)
_cell_length_b                   9.334(4)
_cell_length_c                   9.634(4)
_cell_volume                     568.7
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'H24 Cu2 N2 O26 P6'
_cod_database_code               1007195