LMucko/crystallography-open-database huggingface dataset:
Titanates de cuivre substitues a structure bixbyite: Les composes Cu~1- x~ Ti~1-x~ Fe~2x~ O~3~ (0.15<x<0.33)
Mouron, P; Odier, P; Choisnet, J; Journal of Solid State Chemistry 60 (1985) 87–94; doi:10.1016/0022-4596(85)90167-7

data_1008631
_publ_section_title
;
Titanates de cuivre substitues a structure bixbyite: Les composes Cu~1-
x~ Ti~1-x~ Fe~2x~ O~3~ (0.15<x<0.33)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1016/0022-4596(85)90167-7
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Cu.6667 Ti.6667 Fe.6667 O3'
_chemical_formula_sum            'Cu0.6667 Fe0.6667 O3 Ti0.6667'
_chemical_name_systematic        'Copper titanium ferrate *'
_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            16
_cell_length_a                   9.4312(5)
_cell_length_b                   9.4312(5)
_cell_length_c                   9.4312(5)
_cell_volume                     838.9
_refine_ls_R_factor_all          0.071
_cod_duplicate_entry             1001551
_cod_original_formula_sum        'Cu.6667 Fe.6667 O3 Ti.6667'
_cod_database_code               1008631
Titanates des cuivre substitues a structure bixbyite: Les composes Cu~1- x~ Ti1~-x~ Fe~2x~ O~3~ (0.15 <= X <= 0.33)
Mouron, P; Odier, P; Choisnet, J; Journal of Solid State Chemistry 60 (1985) 87–94; doi:10.1016/0022-4596(85)90167-7

data_1008632
_publ_section_title
;
Titanates des cuivre substitues a structure bixbyite: Les composes Cu~1-
x~ Ti1~-x~ Fe~2x~ O~3~ (0.15 <= X <= 0.33)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1016/0022-4596(85)90167-7
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Cu0.66 Ti0.66 Fe0.66 O3'
_chemical_formula_sum            'Cu0.66 Fe0.66 O3 Ti0.66'
_chemical_name_systematic
;
Copper titanium iron oxide (0.66/0.66/0.66/3)
;
_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            16
_cell_length_a                   9.4312(5)
_cell_length_b                   9.4312(5)
_cell_length_c                   9.4312(5)
_cell_volume                     838.9
_refine_ls_R_factor_all          0.071
_cod_duplicate_entry             1001552
_cod_original_formula_sum        'Cu.66 Fe.66 O3 Ti.66'
_cod_database_code               1008632
Conductivie electrique et caracterisation cristallographique des composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)
Muller, J; Haouzi, A; Laviron, C; Labeau, M; Joubert, J C; Materials Research Bulletin 21 (1986) 1131–1136; doi:10.1016/0025-5408(86)90230-8

data_1008633
_publ_section_title
;
Conductivie electrique et caracterisation cristallographique des
composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et
Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1131
_journal_page_last               1136
_journal_paper_doi               10.1016/0025-5408(86)90230-8
_journal_volume                  21
_journal_year                    1986
_chemical_formula_structural     'Nd Cu3 Ru4 O12'
_chemical_formula_sum            'Cu3 Nd O12 Ru4'
_chemical_name_systematic        'Neodymium copper ruthenium oxide (1/3/4/12)'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.455
_cell_length_b                   7.455
_cell_length_c                   7.455
_cell_volume                     414.3
_refine_ls_R_factor_all          0.025
_cod_database_code               1008633
Nd~1+e~ Fe~4~ B~4~: A composition-modulated compound with incommensurate composite crystal structure.
Bezinge, A; Yvon, K; Braun, H F; Muller, J; Nissen, H U; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 36 (1987) 1406–1414; doi:10.1103/PhysRevB.36.1406

data_1008634
_publ_section_title
;
Nd~1+e~ Fe~4~ B~4~: A composition-modulated compound with
incommensurate composite crystal structure.
;
_journal_coden_ASTM              PRBMDO
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              1406
_journal_page_last               1414
_journal_paper_doi               10.1103/PhysRevB.36.1406
_journal_volume                  36
_journal_year                    1987
_chemical_formula_structural     'Nd19 Fe68 B68'
_chemical_formula_sum            'B68 Fe68 Nd19'
_chemical_name_systematic        'Neodymium iron boride (19/68/68)'
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1226(1)
_cell_length_b                   7.1226(1)
_cell_length_c                   66.2(1)
_cell_volume                     3358.4
_refine_ls_R_factor_all          0.12
_cod_original_sg_symbol_H-M      'P 42/n Z'
_cod_database_code               1008634
Metamagnetism in single-crystal Pr2NiO4
Fernandez-Diaz, M T; Martinez, J L; Rodriguez-Carvajal, J; Beille, J; Martinez, B; Obradors, X; Odier, P; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 47 (1993) 5834–5840; doi:10.1103/PhysRevB.47.5834

data_1008635
_publ_section_title              'Metamagnetism in single-crystal Pr2NiO4'
_journal_coden_ASTM              PRBMDO
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              5834
_journal_page_last               5840
_journal_paper_doi               10.1103/PhysRevB.47.5834
_journal_volume                  47
_journal_year                    1993
_chemical_formula_structural     'Pr2 Ni O4'
_chemical_formula_sum            'Ni O4 Pr2'
_chemical_name_systematic        'Praseodymium nickel oxide'
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.49(1)
_cell_length_b                   5.49(1)
_cell_length_c                   12.17(2)
_cell_volume                     366.8
_refine_ls_R_factor_all          0.036
_cod_duplicate_entry             1006058
_cod_original_sg_symbol_H-M      'P 42/n c m Z'
_cod_database_code               1008635
Structural and electrochemical study of lithium insertion into γ-Fe~2~O~3~
Pernet, M.; Strobel, P.; Bonnet, B.; Bordet, P.; Chabre, Y.; Solid State Ionics 66 (1993) 259–265; doi:10.1016/0167-2738(93)90415-Y

data_1008636
_publ_section_title
;
 Structural and electrochemical study of lithium insertion into \g-Fe~2~O~3~
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              259
_journal_page_last               265
_journal_paper_doi               10.1016/0167-2738(93)90415-Y
_journal_volume                  66
_journal_year                    1993
_chemical_formula_structural     '(Li9.28 Fe21.34) O32'
_chemical_formula_sum            'Fe21.34 Li9.28 O32'
_chemical_name_systematic        'Lithium iron oxide (9.3/21.3/32)'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   8.4325(8)
_cell_length_b                   8.4325(1)
_cell_length_c                   8.4325(1)
_cell_volume                     599.6
_refine_ls_R_factor_all          0.0565
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1008636
Structural and electrochemical study of lithium insertion into γ-Fe~2~O~3~
Pernet, M.; Strobel, P.; Bonnet, B.; Bordet, P.; Chabre, Y.; Solid State Ionics 66 (1993) 259–265; doi:10.1016/0167-2738(93)90415-Y

data_1008637
_publ_section_title
;
 Structural and electrochemical study of lithium insertion into \g-Fe~2~O~3~
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              259
_journal_page_last               265
_journal_paper_doi               10.1016/0167-2738(93)90415-Y
_journal_volume                  66
_journal_year                    1993
_chemical_formula_structural     '(Li9.07 Fe21.33) O32'
_chemical_formula_sum            'Fe21.33 Li9.07 O32'
_chemical_name_systematic        'Lithium iron oxide (9.1/21.3/32)'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   8.4328(8)
_cell_length_b                   8.4328(1)
_cell_length_c                   8.4328(1)
_cell_volume                     599.7
_refine_ls_R_factor_all          0.0737
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1008637
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S; Solid State Ionics 63 (1993) 858–865; doi:

data_1008638
_publ_section_title
;
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              858
_journal_page_last               865
_journal_volume                  63
_journal_year                    1993
_chemical_formula_structural     'Ba2 Pr Cu3 O6.9'
_chemical_formula_sum            'Ba2 Cu3 O6.9 Pr'
_chemical_name_systematic
;
Barium praseodymium copper oxide (2/1/3/6.9)
;
_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                   3.8984(3)
_cell_length_b                   3.8984(3)
_cell_length_c                   11.613(1)
_cell_volume                     176.5
_refine_ls_R_factor_all          0.0372
_cod_database_code               1008638
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S; Solid State Ionics 63 (1993) 858–865; doi:

data_1008639
_publ_section_title
;
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              858
_journal_page_last               865
_journal_volume                  63
_journal_year                    1993
_chemical_formula_structural     'Ba2 Pr Cu3 O6.98'
_chemical_formula_sum            'Ba2 Cu3 O6.98 Pr'
_chemical_name_systematic
;
Barium praseodymium copper oxide (2/1/3/6.98)
;
_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                   3.8918(2)
_cell_length_b                   3.8918(2)
_cell_length_c                   11.6484(8)
_cell_volume                     176.4
_refine_ls_R_factor_all          0.0394
_cod_database_code               1008639
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S; Solid State Ionics 63 (1993) 858–865; doi:

data_1008640
_publ_section_title
;
On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              858
_journal_page_last               865
_journal_volume                  63
_journal_year                    1993
_chemical_formula_structural     'Ba2 Pr Cu3 O7.5'
_chemical_formula_sum            'Ba2 Cu3 O7.5 Pr'
_chemical_name_systematic
;
Barium praseodymium copper oxide (2/1/3/7.5)
;
_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                   3.9048(3)
_cell_length_b                   3.9048(3)
_cell_length_c                   11.648(1)
_cell_volume                     177.6
_refine_ls_R_factor_all          0.0377
_cod_database_code               1008640
A neutron diffraction and Moessbauer effect study of the Nd~2~Fe~17- x~Si~x~ solid solutions
Long, G J; Marasinghe, G K; Mishra, S; Pringle, O A; Grandjean, F; Buschow, K H J; Middleton, D P; Yelon, W B; Pourarian, F; Isnard, O; Solid State Communications 88 (1993) 761–764; doi:10.1016/0038-1098(93)90872-K

data_1008641
_publ_section_title
;
A neutron diffraction and Moessbauer effect study of the Nd~2~Fe~17-
x~Si~x~ solid solutions
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   10
_journal_name_full               'Solid State Communications'
_journal_page_first              761
_journal_page_last               764
_journal_paper_doi               10.1016/0038-1098(93)90872-K
_journal_volume                  88
_journal_year                    1993
_chemical_formula_structural     'Nd2 Fe12.91 Si4.09'
_chemical_formula_sum            'Fe12.91 Nd2 Si4.09'
_chemical_name_systematic        'Niobium iron silicide (2/12.9/4.1)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5325
_cell_length_b                   8.5325
_cell_length_c                   12.4554
_cell_volume                     785.3
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008641
Crystal structure and magnetic properties of the ternary compound YFe~8.6~Ti~1.1~ and its hydride
Revel, R; Tomey, E; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J; Journal of Alloys Compd. 202 (1993) 57–61; doi:10.1016/0925-8388(93)90517-Q

data_1008642
_publ_section_title
;
Crystal structure and magnetic properties of the ternary compound
YFe~8.6~Ti~1.1~ and its hydride
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              57
_journal_page_last               61
_journal_paper_doi               10.1016/0925-8388(93)90517-Q
_journal_volume                  202
_journal_year                    1993
_chemical_formula_structural     'Y2 Fe17.17 Ti2.28 D2.35'
_chemical_formula_sum            'D2.35 Fe17.17 Ti2.28 Y2'
_chemical_name_systematic
;
Yttrium iron titanium deuteride (2/17.2/2.3/2.4)
;
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.276(1)
_cell_length_b                   8.276(1)
_cell_length_c                   4.820(1)
_cell_volume                     330.1
_cod_database_code               1008642
Electrochemical preparation and structural characterization of La~2~NiO~4+d~ phases (0<d<0.25)
Demourgues, A; Wattiaux, A; Grenier, J C; Pouchard, M; Soubeyroux, J L; Dance, J M; Hagenmuller, P; Journal of Solid State Chemistry 105 (1993) 458–468; doi:10.1006/jssc.1993.1238

data_1008643
_publ_section_title
;
Electrochemical preparation and structural characterization of
La~2~NiO~4+d~ phases (0<d<0.25)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              458
_journal_page_last               468
_journal_paper_doi               10.1006/jssc.1993.1238
_journal_volume                  105
_journal_year                    1993
_chemical_formula_structural     'La2 Ni O4.24'
_chemical_formula_sum            'La2 Ni O4.24'
_chemical_name_systematic        'Lanthanum nickel oxide (2/1/4.2)'
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4644(1)
_cell_length_b                   5.4570(1)
_cell_length_c                   12.7035(2)
_cell_volume                     378.8
_refine_ls_R_factor_all          0.045
_cod_database_code               1008643
Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K
Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B; Journal of Solid State Chemistry 106 (1993) 253–270; doi:10.1006/jssc.1993.1285

data_1008644
_publ_section_title
;
Structural aspects of the crystallographic-magnetic transition in
LaVO~3~ around 140 K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               270
_journal_paper_doi               10.1006/jssc.1993.1285
_journal_volume                  106
_journal_year                    1993
_chemical_formula_structural     'La (V O3)'
_chemical_formula_sum            'La O3 V'
_chemical_name_systematic        'Lanthanum vanadate(III)'
_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            4
_cell_length_a                   5.55548(4)
_cell_length_b                   7.84868(6)
_cell_length_c                   5.55349(5)
_cell_volume                     242.1
_refine_ls_R_factor_all          0.04
_cod_database_code               1008644
Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K
Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B; Journal of Solid State Chemistry 106 (1993) 253–270; doi:10.1006/jssc.1993.1285

data_1008645
_publ_section_title
;
Structural aspects of the crystallographic-magnetic transition in
LaVO~3~ around 140 K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               270
_journal_paper_doi               10.1006/jssc.1993.1285
_journal_volume                  106
_journal_year                    1993
_chemical_formula_structural     'La (V O3)'
_chemical_formula_sum            'La O3 V'
_chemical_name_systematic        'Lanthanum vanadate(III)'
_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            4
_cell_length_a                   5.55810(4)
_cell_length_b                   7.83421(6)
_cell_length_c                   5.54862(5)
_cell_volume                     241.6
_refine_ls_R_factor_all          0.039
_cod_database_code               1008645
Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K
Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B; Journal of Solid State Chemistry 106 (1993) 253–270; doi:10.1006/jssc.1993.1285

data_1008646
_publ_section_title
;
Structural aspects of the crystallographic-magnetic transition in
LaVO~3~ around 140 K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               270
_journal_paper_doi               10.1006/jssc.1993.1285
_journal_volume                  106
_journal_year                    1993
_chemical_formula_structural     'La (V O3)'
_chemical_formula_sum            'La O3 V'
_chemical_name_systematic        'Lanthanum vanadate(III)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ac'
_symmetry_space_group_name_H-M   'P 1 1 21/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.1250(4)
_cell_formula_units_Z            4
_cell_length_a                   5.59360(4)
_cell_length_b                   7.75951(5)
_cell_length_c                   5.56490(3)
_cell_volume                     241.5
_refine_ls_R_factor_all          0.046
_cod_database_code               1008646