LMucko/crystallography-open-database huggingface dataset:
Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~
Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B; Journal of Solid State Chemistry 112 (1994) 148–156; doi:10.1006/jssc.1994.1279

data_1001607
_publ_section_title
;
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co~2-x~Cu~x~)O~5~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               156
_journal_paper_doi               10.1006/jssc.1994.1279
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Y Ba (Co1.6 Cu0.4) O5'
_chemical_formula_sum            'Ba Co1.6 Cu0.4 O5 Y'
_chemical_name_systematic
;
Yttrium barium cobalt copper oxide (1/1/1.6/0.4/5)
;
_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                   3.8724
_cell_length_b                   3.8724
_cell_length_c                   7.4953
_cell_volume                     112.4
_refine_ls_R_factor_all          0.058
_cod_original_formula_sum        'Ba Co1.6 Cu.4 O5 Y'
_cod_database_code               1001607
Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~
Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B; Journal of Solid State Chemistry 112 (1994) 148–156; doi:10.1006/jssc.1994.1279

data_1001608
_publ_section_title
;
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co~2-x~Cu~x~)O~5~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               156
_journal_paper_doi               10.1006/jssc.1994.1279
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Y Ba (Co1.2 Cu0.8) O5'
_chemical_formula_sum            'Ba Co1.2 Cu0.8 O5 Y'
_chemical_name_systematic
;
Yttrium barium cobalt copper oxide (1/1/1.2/0.8/5)
;
_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                   3.8675
_cell_length_b                   3.8675
_cell_length_c                   7.5238
_cell_volume                     112.5
_refine_ls_R_factor_all          0.037
_cod_original_formula_sum        'Ba Co1.2 Cu.8 O5 Y'
_cod_database_code               1001608
Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~
Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B; Journal of Solid State Chemistry 112 (1994) 148–156; doi:10.1006/jssc.1994.1279

data_1001609
_publ_section_title
;
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co~2-x~Cu~x~)O~5~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               156
_journal_paper_doi               10.1006/jssc.1994.1279
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Y Ba (Co1.1 Cu0.9) O5'
_chemical_formula_sum            'Ba Co1.1 Cu0.9 O5 Y'
_chemical_name_systematic
;
Yttrium barium cobalt copper oxide (1/1/1.1/0.9/5)
;
_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                   3.8666
_cell_length_b                   3.8666
_cell_length_c                   7.5266
_cell_volume                     112.5
_refine_ls_R_factor_all          0.037
_cod_original_formula_sum        'Ba Co1.1 Cu.9 O5 Y'
_cod_database_code               1001609
Mixed valent molybdenum monophosphates with an intersecting tunnel structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl)
Borel, M M; Leclaire, A; Guesdon, A; Grandin, A; Raveau, B; Journal of Solid State Chemistry 112 (1994) 15–21; doi:10.1006/jssc.1994.1257

data_1001610
_publ_section_title
;
Mixed valent molybdenum monophosphates with an intersecting tunnel
structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              15
_journal_page_last               21
_journal_paper_doi               10.1006/jssc.1994.1257
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Rb3 O2 (Mo O)4 (P O4)4'
_chemical_formula_sum            'Mo4 O22 P4 Rb3'
_chemical_name_systematic
;
Rubidium oxide oxomolybdenum phosphate (3/2/4/4)
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.222(1)
_cell_length_b                   14.223(1)
_cell_length_c                   19.22699(400)
_cell_volume                     3889.2
_exptl_crystal_density_meas      3.7
_refine_ls_R_factor_all          0.029
_cod_database_code               1001610
A molybdenum(V) monophosphate with a layer structure, BaMo~4~O~8~(PO~4~)~2~
Borel, M M; Chardon, J; Leclaire, A; Grandin, A; Raveau, B; Journal of Solid State Chemistry 112 (1994) 317–321; doi:10.1006/jssc.1994.1311

data_1001611
_publ_section_title
;
A molybdenum(V) monophosphate with a layer structure,
BaMo~4~O~8~(PO~4~)~2~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              317
_journal_page_last               321
_journal_paper_doi               10.1006/jssc.1994.1311
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Ba (Mo4 P2 O16)'
_chemical_formula_sum            'Ba Mo4 O16 P2'
_chemical_name_systematic        'Barium phyllo-tetramolybdo(V)diphosphate'
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.475(1)
_cell_length_b                   7.475(1)
_cell_length_c                   11.156(1)
_cell_volume                     623.3
_exptl_crystal_density_meas      4.7
_refine_ls_R_factor_all          0.019
_cod_database_code               1001611
Neutron diffraction study of the nonmodulated 2212-type cuprate Bi~1.5~Ba~2.5~LaCu~2~O~8.25~
Michel, C; Pelloquin, D; Hervieu, M; Raveau, B; Journal of Solid State Chemistry 112 (1994) 362–366; doi:10.1006/jssc.1994.1317

data_1001612
_publ_section_title
;
Neutron diffraction study of the nonmodulated 2212-type cuprate
Bi~1.5~Ba~2.5~LaCu~2~O~8.25~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              362
_journal_page_last               366
_journal_paper_doi               10.1006/jssc.1994.1317
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Bi1.5 Ba2.5 La Cu2 O8.24'
_chemical_formula_sum            'Ba2.5 Bi1.5 Cu2 La O8.24'
_chemical_name_systematic
;
Bismuth barium lanthanum copper oxide (1.5/2.5/1/2/8.2)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9322(1)
_cell_length_b                   3.9322(1)
_cell_length_c                   31.23999(100)
_cell_volume                     483.0
_refine_ls_R_factor_all          0.035
_cod_database_code               1001612
An Mo^V^ monophosphate, Rb~2~Mo~2~P~2~O~11~
Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Acta Crystallographica C (39,1983-) 50 (1994) 1852–1854; doi:

data_1001613
_publ_section_title              'An Mo^V^ monophosphate, Rb~2~Mo~2~P~2~O~11~'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1852
_journal_page_last               1854
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     'Rb2 Mo2 (P O4)2 O3'
_chemical_formula_sum            'Mo2 O11 P2 Rb2'
_chemical_name_systematic
;
Dirubidium dimolybdenum(V) bis(phosphate) trioxide
;
_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                 97.70(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.973(2)
_cell_length_b                   10.180(2)
_cell_length_c                   10.012(1)
_cell_volume                     1007.3
_refine_ls_R_factor_all          0.041
_cod_database_code               1001613
The mixed valent molybdenum monophosphate RbMo~2~P~2~O~10~.(1-x)H~2~O: an intersecting tunnel structure isotypic with leucophosphite
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Journal of Solid State Chemistry 108 (1994) 177–183; doi:10.1006/jssc.1994.1027

data_1001614
_publ_section_title
;
The mixed valent molybdenum monophosphate RbMo~2~P~2~O~10~.(1-x)H~2~O:
an intersecting tunnel structure isotypic with leucophosphite
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              177
_journal_page_last               183
_journal_paper_doi               10.1006/jssc.1994.1027
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Rb (Mo2 P2 O10) (H2 O)0.9'
_chemical_formula_sum            'H1.8 Mo2 O10.9 P2 Rb'
_chemical_name_systematic        'Rubidium tecto-molybdophosphate hydrate *'
_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                 128.81(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.789(1)
_cell_length_b                   9.752(1)
_cell_length_c                   12.347(1)
_cell_volume                     918.5
_exptl_crystal_density_meas      3.79
_refine_ls_R_factor_all          0.043
_cod_database_code               1001614
The substitution of CO~3~ groups for copper in Y~1- x~Ca~x~Ba~2~Cu~3~O~7~: HREM study
Domenges, B; Boullay, Ph; Hervieu, M; Raveau, B; Journal of Solid State Chemistry 108 (1994) 219–229; doi:10.1006/jssc.1994.1035

data_1001615
_publ_section_title
;
The substitution of CO~3~ groups for copper in Y~1-
x~Ca~x~Ba~2~Cu~3~O~7~: HREM study
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              219
_journal_page_last               229
_journal_paper_doi               10.1006/jssc.1994.1035
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Y1.3 Ca0.7 Ba4 Cu5 (C O3) O11'
_chemical_formula_sum            'C Ba4 Ca0.7 Cu5 O14 Y1.3'
_chemical_name_systematic
;
Yttrium calcium barium copper carbonate oxide (1.3/0.7/4/5/1/11)
;
_space_group_IT_number           35
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_Hall  'B -2 -2'
_symmetry_space_group_name_H-M   'B m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7704(6)
_cell_length_b                   3.8876(3)
_cell_length_c                   22.98119(80)
_cell_volume                     694.2
_refine_ls_R_factor_all          0.066
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from
 'Ba4 Ca0.7 Cu5 O14 Y1.3' to 'C Ba4 Ca0.7 Cu5 O14 Y1.3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'Ba4 Ca.7 Cu5 O14 Y1.3'
_cod_database_code               1001615
The monophosphate Pb~2~V~2~VO(PO~4~)~4~: a tunnel structure with the mixed valence V(III)-V(IV)
Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B; Journal of Solid State Chemistry 108 (1994) 291–298; doi:10.1006/jssc.1994.1045

data_1001616
_publ_section_title
;
The monophosphate Pb~2~V~2~VO(PO~4~)~4~: a tunnel structure with the
mixed valence V(III)-V(IV)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               298
_journal_paper_doi               10.1006/jssc.1994.1045
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Pb2 (V O) (V2 P4 O16)'
_chemical_formula_sum            'O17 P4 Pb2 V3'
_chemical_name_systematic
;
Dilead oxovanadium(IV) tecto-divanadato(III)tetraphosphate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.03(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.74699(200)
_cell_length_b                   18.05099(200)
_cell_length_c                   9.344(1)
_cell_volume                     2666.4
_refine_ls_R_factor_all          0.041
_cod_database_code               1001616
Cs~3~Mo~4~P~4~O~22~: A mixed valent monophosphate isotypic with K~2~Mo~2~P~2~O/1~1~
Borel, M M; Leclaire, A; Grandin, A; Raveau, B; Journal of Solid State Chemistry 108 (1994) 336–339; doi:10.1006/jssc.1994.1049

data_1001617
_publ_section_title
;
Cs~3~Mo~4~P~4~O~22~: A mixed valent monophosphate isotypic with
K~2~Mo~2~P~2~O/1~1~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              336
_journal_page_last               339
_journal_paper_doi               10.1006/jssc.1994.1049
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Cs1.5 (Mo2 P2 O11)'
_chemical_formula_sum            'Cs1.5 Mo2 O11 P2'
_chemical_name_systematic        'Caesium tecto-molybdophosphate *'
_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                 100.44(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.134(1)
_cell_length_b                   10.104(1)
_cell_length_c                   9.952(1)
_cell_volume                     1002.2
_refine_ls_R_factor_all          0.034
_cod_database_code               1001617
A molybdenum (V) diphosphate closely related to the $-alpha- NaTiP~2~O~7~ structure: Cs(MoO)P~2~O~7~
Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B; Journal of Solid State Chemistry 108 (1994) 46–50; doi:10.1006/jssc.1994.1007

data_1001618
_publ_section_title
;
A molybdenum (V) diphosphate closely related to the $-alpha-
NaTiP~2~O~7~ structure: Cs(MoO)P~2~O~7~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              46
_journal_page_last               50
_journal_paper_doi               10.1006/jssc.1994.1007
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Cs (Mo O) (P2 O7)'
_chemical_formula_sum            'Cs Mo O8 P2'
_chemical_name_systematic        'Caesium oxomolybdenum(V) 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                 91.77(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1340(5)
_cell_length_b                   11.707(2)
_cell_length_c                   12.063(2)
_cell_volume                     724.7
_exptl_crystal_density_meas      3.9
_refine_ls_R_factor_all          0.034
_cod_database_code               1001618
The anionic superconductor Bi~3~BaO~5.5~: A bcc structure closely related to the perovskite. Relationships with anti $-alpha-AgI
Michel; Pelloquin, D; Hervieu, M; Raveau, B; Journal of Solid State Chemistry 109 (1994) 122–126; doi:10.1006/jssc.1994.1081

data_1001619
_publ_section_title
;
The anionic superconductor Bi~3~BaO~5.5~: A bcc structure closely
related to the perovskite. Relationships with anti $-alpha-AgI
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              122
_journal_page_last               126
_journal_paper_doi               10.1006/jssc.1994.1081
_journal_volume                  109
_journal_year                    1994
_chemical_formula_structural     '(Bi1.5 Ba0.5) O2.75'
_chemical_formula_sum            'Ba0.5 Bi1.5 O2.75'
_chemical_name_systematic        'Bismuth barium oxide (1.5/0.5/2.75)'
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.3822(2)
_cell_length_b                   4.3822(2)
_cell_length_c                   4.3822(2)
_cell_volume                     84.2
_refine_ls_R_factor_all          0.0339
_cod_original_formula_sum        'Ba.5 Bi1.5 O2.75'
_cod_database_code               1001619
A mixed-valent molybdenum monophosphate with a layer structure: KMo~3~P~2~O~14~
Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B; Journal of Solid State Chemistry 109 (1994) 145–151; doi:10.1006/jssc.1994.1084

data_1001620
_publ_section_title
;
A mixed-valent molybdenum monophosphate with a layer structure:
KMo~3~P~2~O~14~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              145
_journal_page_last               151
_journal_paper_doi               10.1006/jssc.1994.1084
_journal_volume                  109
_journal_year                    1994
_chemical_formula_structural     'K (Mo3 P2 O14)'
_chemical_formula_sum            'K Mo3 O14 P2'
_chemical_name_systematic        'Potassium phyllo-molybdophosphate *'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.65(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.599(2)
_cell_length_b                   6.392(1)
_cell_length_c                   10.602(2)
_cell_volume                     541.6
_refine_ls_R_factor_all          0.042
_cod_database_code               1001620
A mixed valent titanium diphosphate with an intersecting tunnel structure K~0.~/5~8~TiP~2~O~7~
Leclaire, A; Chardon; Borel, M M; Raveau, B; Journal of Solid State Chemistry 109 (1994) 83–87; doi:10.1006/jssc.1994.1075

data_1001621
_publ_section_title
;
A mixed valent titanium diphosphate with an intersecting tunnel
structure K~0.~/5~8~TiP~2~O~7~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              83
_journal_page_last               87
_journal_paper_doi               10.1006/jssc.1994.1075
_journal_volume                  109
_journal_year                    1994
_chemical_formula_structural     'K0.58 Ti (P2 O7)'
_chemical_formula_sum            'K0.58 O7 P2 Ti'
_chemical_name_systematic        'Potassium titanium diphosphate (0.58/1/1)'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.73(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.85199(200)
_cell_length_b                   6.298(1)
_cell_length_c                   12.181(2)
_cell_volume                     1189.3
_refine_ls_R_factor_all          0.0522
_cod_original_formula_sum        'K.58 O7 P2 Ti'
_cod_database_code               1001621
The phosphoniobate RbNb~2~PO~8~: An ordered sbstitution of PO~4~ tetrahedra for NbO~6~ octahedra in the HTB structure
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Journal of Solid State Chemistry 110 (1994) 256–263; doi:10.1006/jssc.1994.1167

data_1001622
_publ_section_title
;
The phosphoniobate RbNb~2~PO~8~: An ordered sbstitution of PO~4~
tetrahedra for NbO~6~ octahedra in the HTB structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              256
_journal_page_last               263
_journal_paper_doi               10.1006/jssc.1994.1167
_journal_volume                  110
_journal_year                    1994
_chemical_formula_structural     'Rb (P Nb2 O8)'
_chemical_formula_sum            'Nb2 O8 P Rb'
_chemical_name_systematic        'Rubidium tecto-phosphatodiniobate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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            16
_cell_length_a                   13.815(1)
_cell_length_b                   15.884(2)
_cell_length_c                   12.675(2)
_cell_volume                     2781.4
_refine_ls_R_factor_all          0.041
_cod_database_code               1001622