LMucko/crystallography-open-database huggingface dataset:
Structural peculiarities of the "1212" superconductor Tl~.5~ Pb~.5~ Sr~2~ Ca Cu~2~ O~5~
Martin, C; Provost, J; Bourgault, D; Domenges, B; Michel, C; Hervieu, M; Raveau, B; Physica C (Amsterdam) (152,1988-) 157 (1989) 460–468; doi:10.1016/0921-4534(89)90271-2

data_1008438
_publ_section_title
;
Structural peculiarities of the "1212" superconductor Tl~.5~ Pb~.5~
Sr~2~ Ca Cu~2~ O~5~
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              460
_journal_page_last               468
_journal_paper_doi               10.1016/0921-4534(89)90271-2
_journal_volume                  157
_journal_year                    1989
_chemical_formula_structural     '(Tl.48 Pb.5 Ca.02) Sr2 (Ca.89 Tl.11) Cu2 O7'
_chemical_formula_sum            'Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59'
_chemical_name_systematic
;
Thallium lead strontium calcium copper oxide *
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.795(1)
_cell_length_b                   3.795(1)
_cell_length_c                   12.094(5)
_cell_volume                     174.2
_refine_ls_R_factor_all          0.06
_cod_duplicate_entry             1001411
_cod_original_formula_sum        'Ca.91 Cu2 O7 Pb.5 Sr2 Tl.59'
_cod_database_code               1008438
Neutron diffraction studies of the crystallographic and magnetic structures of SrZn~2/3~ Mn~4/3~ Fe~16~ O~27~
Collomb, A; Litsardakis, G; Samaras, D; Pannetier, J; Journal of Magnetism and Magnetic Materials 78 (1989) 219–225; doi:10.1016/0304-8853(89)90271-0

data_1008439
_publ_section_title
;
Neutron diffraction studies of the crystallographic and magnetic
structures of SrZn~2/3~ Mn~4/3~ Fe~16~ O~27~
;
_journal_coden_ASTM              JMMMDC
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              219
_journal_page_last               225
_journal_paper_doi               10.1016/0304-8853(89)90271-0
_journal_volume                  78
_journal_year                    1989
_chemical_formula_analytical     'Sr Zn.67 Mn1.33 Fe16 O27'
_chemical_formula_structural     'Sr Zn.66 Mn1.44 Fe15.9 O27'
_chemical_formula_sum            'Fe15.9 Mn1.44 O27 Sr Zn0.66'
_chemical_name_systematic
;
Strontium zinc manganese(II) iron manganese(III) iron(III) oxide
(1/.66/.86/.45/.58/15.45/27)
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   5.9442(8)
_cell_length_b                   5.9442(8)
_cell_length_c                   32.875(5)
_cell_volume                     1006.0
_refine_ls_R_factor_all          0.026
_cod_original_formula_sum        'Fe15.9 Mn1.44 O27 Sr Zn.66'
_cod_database_code               1008439
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies
Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4700–4712; doi:10.1103/PhysRevB.41.4700

data_1008440
_publ_section_title
;
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Pr Fe Si2'
_chemical_formula_sum            'Fe Pr Si2'
_chemical_name_systematic        'Praseodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.103(3)
_cell_length_b                   17.04(3)
_cell_length_c                   4.016(3)
_cell_volume                     280.8
_refine_ls_R_factor_all          0.037
_cod_database_code               1008440
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies
Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4700–4712; doi:10.1103/PhysRevB.41.4700

data_1008441
_publ_section_title
;
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Pr Fe Si2'
_chemical_formula_sum            'Fe Pr Si2'
_chemical_name_systematic        'Praseodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.103(3)
_cell_length_b                   17.04(3)
_cell_length_c                   4.016(3)
_cell_volume                     280.8
_refine_ls_R_factor_all          0.007
_cod_database_code               1008441
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies
Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4700–4712; doi:10.1103/PhysRevB.41.4700

data_1008442
_publ_section_title
;
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Nd Fe Si2'
_chemical_formula_sum            'Fe Nd Si2'
_chemical_name_systematic        'Neodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.082(3)
_cell_length_b                   16.98(3)
_cell_length_c                   4.004(3)
_cell_volume                     277.5
_refine_ls_R_factor_all          0.052
_cod_database_code               1008442
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies
Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4700–4712; doi:10.1103/PhysRevB.41.4700

data_1008443
_publ_section_title
;
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Nd Fe Si2'
_chemical_formula_sum            'Fe Nd Si2'
_chemical_name_systematic        'Neodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.072(1)
_cell_length_b                   16.896(4)
_cell_length_c                   3.996(1)
_cell_volume                     274.9
_refine_ls_R_factor_all          0.064
_cod_database_code               1008443
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies
Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4700–4712; doi:10.1103/PhysRevB.41.4700

data_1008444
_publ_section_title
;
Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Nd Fe Si2'
_chemical_formula_sum            'Fe Nd Si2'
_chemical_name_systematic        'Neodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.072(1)
_cell_length_b                   16.896(4)
_cell_length_c                   3.996(1)
_cell_volume                     274.9
_refine_ls_R_factor_all          0.041
_cod_database_code               1008444
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 163 (1989) 219–224; doi:

data_1008445
_publ_section_title
;
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              219
_journal_page_last               224
_journal_volume                  163
_journal_year                    1989
_chemical_formula_analytical     'Zr2 Ni D2'
_chemical_formula_structural     'Zr2 Ni D2.23'
_chemical_formula_sum            'D2.23 Ni Zr2'
_chemical_name_systematic        'Zirconium nickel deuteride (2/1/2.23)'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            4
_cell_length_a                   6.6573(2)
_cell_length_b                   6.6573(2)
_cell_length_c                   5.3862
_cell_volume                     238.7
_refine_ls_R_factor_all          0.049
_cod_database_code               1008445
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 163 (1989) 219–224; doi:

data_1008446
_publ_section_title
;
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              219
_journal_page_last               224
_journal_volume                  163
_journal_year                    1989
_chemical_formula_analytical     'Zr2 Ni D3'
_chemical_formula_structural     'Zr2 Ni D3.78'
_chemical_formula_sum            'D3.78 Ni Zr2'
_chemical_name_systematic        'Zirconium nickel deuteride (2/1/3.78)'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            4
_cell_length_a                   6.7357(2)
_cell_length_b                   6.7357(2)
_cell_length_c                   5.4752(2)
_cell_volume                     248.4
_refine_ls_R_factor_all          0.0762
_cod_database_code               1008446
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 163 (1989) 219–224; doi:

data_1008447
_publ_section_title
;
Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              219
_journal_page_last               224
_journal_volume                  163
_journal_year                    1989
_chemical_formula_analytical     'Zr2 Ni D4.8'
_chemical_formula_structural     'Zr2 Ni D7.16'
_chemical_formula_sum            'D7.16 Ni Zr2'
_chemical_name_systematic        'Zirconium nickel deuteride (2/1/7.16)'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            4
_cell_length_a                   6.8280(3)
_cell_length_b                   6.8280(3)
_cell_length_c                   5.6862(2)
_cell_volume                     265.1
_refine_ls_R_factor_all          0.0978
_cod_database_code               1008447
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba~2~ Cu~3.5~ O~7+x~ (T~c~ 40K) and Y Ba~2~ Cu~4~ O~8+x~ (T~c~ 80K)
Karpinski, J; Kaldis, E; Rusiecki, S; Jilek, E; Fischer, P; Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M; Journal of the Less-Common Metals 150 (1989) 129–137; doi:10.1016/0022-5088(89)90262-2

data_1008448
_publ_section_title
;
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba~2~
Cu~3.5~ O~7+x~ (T~c~ 40K) and Y Ba~2~ Cu~4~ O~8+x~ (T~c~ 80K)
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              129
_journal_page_last               137
_journal_paper_doi               10.1016/0022-5088(89)90262-2
_journal_volume                  150
_journal_year                    1989
_chemical_formula_structural     'Y Ba2 Cu4 O8.06'
_chemical_formula_sum            'Ba2 Cu4 O8.06 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/4/8.1)'
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8415(3)
_cell_length_b                   3.8707(3)
_cell_length_c                   27.240(2)
_cell_volume                     405.0
_refine_ls_R_factor_all          0.068
_cod_database_code               1008448
Structure cristalline du pyrofluoroberyllate de guanidinium (C N~3~ H~6~)~3~ Be~2~ F~7~
Aleonard, S; Gorius, M; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 309 (1989) 683–687; doi:

data_1008449
_publ_section_title
;
Structure cristalline du pyrofluoroberyllate de guanidinium (C N~3~
H~6~)~3~ Be~2~ F~7~
;
_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              683
_journal_page_last               687
_journal_volume                  309
_journal_year                    1989
_chemical_formula_structural     '(C (N H2)3)3 Be2 F7'
_chemical_formula_sum            'C3 H18 Be2 F7 N9'
_chemical_name_systematic        'Tris(guanidinium) diberyllium fluoride'
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.59(1)
_cell_length_b                   14.59(1)
_cell_length_c                   14.59(1)
_cell_volume                     3105.7
_refine_ls_R_factor_all          0.051
_cod_depositor_comments
;

  Adding "C3" to the value of the _chemical_formula_sum data item, since:

  1) 'C3 H18 Be2 F7 N9' is the formula computed from atomic coordinates and symetry;
  2) the _chemical_formula_structural specifies 3 carbon atoms in total;
  3) The compound is declared to be guanidinium salt, and guanidinium contains carbon.

  Saulius Gra\<zulis
  2014-06-17

;
_cod_original_formula_sum        'H18 Be2 F7 N9'
_cod_database_code               1008449
Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite
Alonso, J A; Rasines, I; Soubeyroux, J L; Inorganic Chemistry 29 (1990) 4768–4771; doi:10.1021/ic00348a035

data_1008450
_publ_section_title
;
Tristrontium dialuminium hexaoxide: An intricate superstructure of
perovskite
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4768
_journal_page_last               4771
_journal_paper_doi               10.1021/ic00348a035
_journal_volume                  29
_journal_year                    1990
_chemical_formula_structural     'Sr9 (Al6 O18)'
_chemical_formula_sum            'Al6 O18 Sr9'
_chemical_name_systematic        'Tristrontium cyclo-hexaaluminate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.8476(2)
_cell_length_b                   15.8476(2)
_cell_length_c                   15.8476(2)
_cell_volume                     3980.1
_refine_ls_R_factor_all          0.0329
_cod_database_code               1008450
Crystal structure of a new telluric acid adduct : Te(OH)~6~ 2CsCl
Averbuch-Pouchot, M T; Zeitschrift fuer Kristallographie (149,1979-) 182 (1988) 291–295; doi:10.1524/zkri.1988.182.1-4.291

data_1008451
_publ_section_title
;
Crystal structure of a new telluric acid adduct : Te(OH)~6~ 2CsCl
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              291
_journal_page_last               295
_journal_paper_doi               10.1524/zkri.1988.182.1-4.291
_journal_volume                  182
_journal_year                    1988
_chemical_formula_structural     'Te (O H)6 (Cs Cl)2'
_chemical_formula_sum            'Cl2 Cs2 H6 O6 Te'
_chemical_name_systematic        'Telluric acid bis(caesium chloride)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.48(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.243(1)
_cell_length_b                   11.154(3)
_cell_length_c                   7.862(2)
_cell_volume                     522.2
_refine_ls_R_factor_all          0.027
_cod_original_formula_sum        'H6 Cl2 Cs2 O6 Te'
_cod_database_code               1008451
Structure cristalline de K~0.265~Gd~0.735~ F~2.47~
Le Fur, Y; Aleonard, S; Gorius, M F; Roux, M T; Zeitschrift fuer Kristallographie (149,1979-) 182 (1988) 281–290; doi:10.1524/zkri.1988.182.1-4.281

data_1008452
_publ_section_title
;
Structure cristalline de K~0.265~Gd~0.735~ F~2.47~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              281
_journal_page_last               290
_journal_paper_doi               10.1524/zkri.1988.182.1-4.281
_journal_volume                  182
_journal_year                    1988
_chemical_formula_structural     'K0.265 Gd0.735 F2.47'
_chemical_formula_sum            'F2.47 Gd0.735 K0.265'
_chemical_name_systematic        'Potassium gadolinium fluoride (0.3/0.7/2.5)'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            64
_cell_length_a                   11.652(4)
_cell_length_b                   8.152(2)
_cell_length_c                   32.57(1)
_cell_volume                     3093.7
_refine_ls_R_factor_all          0.04
_cod_original_formula_sum        'F2.47 Gd.735 K.265'
_cod_database_code               1008452
The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~: structure and chemical properties
Mbandza, A; Bordes, E; Courtine, P; El Jazouli, A; Soubeyroux, J L; Le Flem, G; Hagenmueller, P; Reactivity of Solids 5 (1988) 315–321; doi:10.1016/0168-7336(88)80030-5

data_1008453
_publ_section_title
;
The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~:
structure and chemical properties
;
_journal_coden_ASTM              RESOED
_journal_name_full               'Reactivity of Solids'
_journal_page_first              315
_journal_page_last               321
_journal_paper_doi               10.1016/0168-7336(88)80030-5
_journal_volume                  5
_journal_year                    1988
_chemical_formula_structural     'Cu Ti2 (P O4)3'
_chemical_formula_sum            'Cu O12 P3 Ti2'
_chemical_name_systematic        'Copper(I) dititanium tris(phosphate)'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.5271(4)
_cell_length_b                   8.5271(4)
_cell_length_c                   21.320(1)
_cell_volume                     1342.5
_refine_ls_R_factor_all          0.064
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_database_code               1008453