LMucko/crystallography-open-database huggingface dataset:
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_1008647
_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                90.129(6)
_cell_formula_units_Z            4
_cell_length_a                   5.5917(3)
_cell_length_b                   7.7516(4)
_cell_length_c                   5.5623(3)
_cell_volume                     241.1
_refine_ls_R_factor_all          0.054
_cod_database_code               1008647
Synthesis of YBa~2~Cu~3~O~7-x~ by sol-gel route. Formation of YBaCuO oxycarbonate intermediate
Gotor, F J; Odier, P; Gervais, M; Choisnet, J; Monod, Ph; Physica C (Amsterdam) (152,1988-) 218 (1993) 429–436; doi:10.1016/0921-4534(93)90046-S

data_1008648
_publ_section_title
;
Synthesis of YBa~2~Cu~3~O~7-x~ by sol-gel route. Formation of YBaCuO
oxycarbonate intermediate
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              429
_journal_page_last               436
_journal_paper_doi               10.1016/0921-4534(93)90046-S
_journal_volume                  218
_journal_year                    1993
_chemical_formula_structural     'Y Ba2 Cu2.95 (C O3)0.35 O6.6'
_chemical_formula_sum            'C0.35 Ba2 Cu2.95 O7.65 Y'
_chemical_name_systematic
;
Yttrium barium copper carbonate oxide (1/2/2.95/0.35/6.6)
;
_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                   3.8706(4)
_cell_length_b                   3.8706(4)
_cell_length_c                   11.612(1)
_cell_volume                     174.0
_refine_ls_R_factor_all          0.055
_cod_duplicate_entry             1001578
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from
 'Ba2 Cu2.95 O7.65 Y' to 'C0.35 Ba2 Cu2.95 O7.65 Y'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1008648
Electron-density Fourier maps of an untwinned YBa~2~Cu~3~O~6.877~ single crystal by x-ray-diffraction data
Sullivan, J D; Bordet, P; Marezio, M; Takenaka, K; Uchida, S; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 10638–10641; doi:10.1103/PhysRevB.48.10638

data_1008649
_publ_section_title
;
Electron-density Fourier maps of an untwinned YBa~2~Cu~3~O~6.877~
single crystal by x-ray-diffraction data
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   14
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              10638
_journal_page_last               10641
_journal_paper_doi               10.1103/PhysRevB.48.10638
_journal_volume                  48
_journal_year                    1993
_chemical_formula_structural     'Y Ba2 Cu3 O6.877'
_chemical_formula_sum            'Ba2 Cu3 O6.877 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.9)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8184(3)
_cell_length_b                   3.8857(2)
_cell_length_c                   11.701(1)
_cell_volume                     173.6
_refine_ls_R_factor_all          0.035
_cod_database_code               1008649
Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite
le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J; Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173–2189; doi:

data_1008650
_publ_section_title
;
Systemes magnetiques de basse dimensionnalite dans des fluorures de
type usovite et jarlite
;
_journal_coden_ASTM              JCPBAN
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_page_first              2173
_journal_page_last               2189
_journal_volume                  88
_journal_year                    1991
_chemical_formula_structural     'Ba7 Mn Fe6 F34'
_chemical_formula_sum            'Ba7 F34 Fe6 Mn'
_chemical_name_systematic
;
Heptabarium manganese hexairon(III) fluoride
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.29(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.06099(300)
_cell_length_b                   11.410(2)
_cell_length_c                   7.687(2)
_cell_volume                     1462.1
_refine_ls_R_factor_all          0.083
_cod_database_code               1008650
Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite
Collomb, A; Muller, J; Fournier, T; Materials Research Bulletin 28 (1993) 621–627; doi:10.1016/0025-5408(93)90105-M

data_1008651
_publ_section_title
;
Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              621
_journal_page_last               627
_journal_paper_doi               10.1016/0025-5408(93)90105-M
_journal_volume                  28
_journal_year                    1993
_chemical_formula_structural     'Ba0.99 (Mg0.705 Fe0.295) Fe6 O11'
_chemical_formula_sum            'Ba0.99 Fe6.295 Mg0.705 O11'
_chemical_name_systematic
;
Barium magnesium iron oxide (0.99/0.7/6.3/11)
;
_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            6
_cell_length_a                   5.865(1)
_cell_length_b                   5.865(1)
_cell_length_c                   43.48599(400)
_cell_volume                     1295.4
_refine_ls_R_factor_all          0.017
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba.99 Fe6.295 Mg.705 O11'
_cod_database_code               1008651
Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 179 (1993) 187–198; doi:10.1524/zpch.1993.179.Part_1_2.187

data_1008652
_publ_section_title
;
Crystal structure and microstructure analysis of alloys Zr(Mn~1-
x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              187
_journal_page_last               198
_journal_paper_doi               10.1524/zpch.1993.179.Part_1_2.187
_journal_volume                  179
_journal_year                    1993
_chemical_formula_analytical     'Zr (Mn1.6 Al0.4) D2.80'
_chemical_formula_structural     'Zr (Mn1.616 Al0.384) D2.76'
_chemical_formula_sum            'Al0.384 D2.76 Mn1.616 Zr'
_chemical_name_systematic
;
Zirconium manganese aluminium deuteride (1/1.6/0.4/2.8)
;
_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            4
_cell_length_a                   5.399(1)
_cell_length_b                   5.399(1)
_cell_length_c                   8.828(2)
_cell_volume                     222.9
_refine_ls_R_factor_all          0.018
_cod_original_formula_sum        'D2.76 Al.384 Mn1.616 Zr'
_cod_database_code               1008652
Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 179 (1993) 187–198; doi:10.1524/zpch.1993.179.Part_1_2.187

data_1008653
_publ_section_title
;
Crystal structure and microstructure analysis of alloys Zr(Mn~1-
x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              187
_journal_page_last               198
_journal_paper_doi               10.1524/zpch.1993.179.Part_1_2.187
_journal_volume                  179
_journal_year                    1993
_chemical_formula_analytical     'Zr (Mn1.59 V0.39) D3.49'
_chemical_formula_structural     'Zr (Mn1.601 V0.399) D3.54'
_chemical_formula_sum            'D3.54 Mn1.601 V0.399 Zr'
_chemical_name_systematic
;
Zirconium manganese vanadium deuteride (1/1.6/0.4/3.5)
;
_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            4
_cell_length_a                   5.4616(4)
_cell_length_b                   5.4616(4)
_cell_length_c                   8.8959(6)
_cell_volume                     229.8
_refine_ls_R_factor_all          0.011
_cod_original_formula_sum        'D3.54 Mn1.601 V.399 Zr'
_cod_database_code               1008653
Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 179 (1993) 187–198; doi:10.1524/zpch.1993.179.Part_1_2.187

data_1008654
_publ_section_title
;
Crystal structure and microstructure analysis of alloys Zr(Mn~1-
x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              187
_journal_page_last               198
_journal_paper_doi               10.1524/zpch.1993.179.Part_1_2.187
_journal_volume                  179
_journal_year                    1993
_chemical_formula_analytical     'Zr (Mn1.68 Fe0.40) D2.90'
_chemical_formula_structural     'Zr (Mn1.634 Fe0.366) D3.22'
_chemical_formula_sum            'D3.22 Fe0.366 Mn1.634 Zr'
_chemical_name_systematic
;
Zirconium manganese iron deuteride (1/1.6/0.4/3.2)
;
_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            4
_cell_length_a                   5.3935(8)
_cell_length_b                   5.3935(8)
_cell_length_c                   8.791(2)
_cell_volume                     221.5
_refine_ls_R_factor_all          0.013
_cod_original_formula_sum        'D3.22 Fe.366 Mn1.634 Zr'
_cod_database_code               1008654
Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 179 (1993) 187–198; doi:10.1524/zpch.1993.179.Part_1_2.187

data_1008655
_publ_section_title
;
Crystal structure and microstructure analysis of alloys Zr(Mn~1-
x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              187
_journal_page_last               198
_journal_paper_doi               10.1524/zpch.1993.179.Part_1_2.187
_journal_volume                  179
_journal_year                    1993
_chemical_formula_analytical     'Zr (Mn1.60 Co0.40) D3.01'
_chemical_formula_structural     'Zr (Mn1.523 Co0.477) D3.36'
_chemical_formula_sum            'Co0.477 D3.36 Mn1.523 Zr'
_chemical_name_systematic
;
Zirconium manganese cobalt deuteride (1/1.5/0.5/3.4)
;
_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            4
_cell_length_a                   5.3915(7)
_cell_length_b                   5.3915(7)
_cell_length_c                   8.780(1)
_cell_volume                     221.0
_refine_ls_R_factor_all          0.009
_cod_original_formula_sum        'D3.36 Co.477 Mn1.523 Zr'
_cod_database_code               1008655
Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 179 (1993) 187–198; doi:10.1524/zpch.1993.179.Part_1_2.187

data_1008656
_publ_section_title
;
Crystal structure and microstructure analysis of alloys Zr(Mn~1-
x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides
;
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              187
_journal_page_last               198
_journal_paper_doi               10.1524/zpch.1993.179.Part_1_2.187
_journal_volume                  179
_journal_year                    1993
_chemical_formula_analytical     'Zr (Mn1.82 Ni0.43) D2.96'
_chemical_formula_structural     'Zr (Mn1.658 Ni0.342) D2.85'
_chemical_formula_sum            'D2.85 Mn1.658 Ni0.342 Zr'
_chemical_name_systematic
;
Zirconium manganese nickel deuteride (1/1.7/0.3/2.9)
;
_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            4
_cell_length_a                   5.371(3)
_cell_length_b                   5.371(3)
_cell_length_c                   8.729(5)
_cell_volume                     218.1
_refine_ls_R_factor_all          0.011
_cod_original_formula_sum        'D2.85 Mn1.658 Ni.342 Zr'
_cod_database_code               1008656
Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ . 18H~2~O
Schuelke, U; Averbuch-Pouchot, M T; Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 545–550; doi:10.1002/zaac.19946200327

data_1008657
_publ_section_title
;
Preparation and crystal structure of potassium manganese
cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ .
18H~2~O
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              545
_journal_page_last               550
_journal_paper_doi               10.1002/zaac.19946200327
_journal_volume                  620
_journal_year                    1994
_chemical_formula_structural     'K2 Mn4 (P10 O30) (H2 O)18'
_chemical_formula_sum            'H36 K2 Mn4 O48 P10'
_chemical_name_systematic
;
Dipotassium tetramanganese cyclo-decaphosphate 18-hydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.12(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.546(10)
_cell_length_b                   15.211(10)
_cell_length_c                   9.860(6)
_cell_volume                     2106.1
_refine_ls_R_factor_all          0.044
_cod_database_code               1008657
Chemical preparation, structural investigation, and thermal behavior of a new cyclohexaphosphate: Zn~2~Cs~2~P~6~O~18~.8H~2~O
Abid, S; Rzaigui, M; Averbuch-Pouchot, M T; Journal of Solid State Chemistry 110 (1994) 180–184; doi:10.1006/jssc.1994.1154

data_1008658
_publ_section_title
;
Chemical preparation, structural investigation, and thermal behavior of
a new cyclohexaphosphate: Zn~2~Cs~2~P~6~O~18~.8H~2~O
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              180
_journal_page_last               184
_journal_paper_doi               10.1006/jssc.1994.1154
_journal_volume                  110
_journal_year                    1994
_chemical_formula_structural     'Zn2 Cs2 (P6 O18) (H2 O)8'
_chemical_formula_sum            'Cs2 H16 O26 P6 Zn2'
_chemical_name_systematic
;
Dizinc dicaesium cyclo-hexaphosphate octahydrate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.33(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.896(9)
_cell_length_b                   12.663(7)
_cell_length_c                   8.079(8)
_cell_volume                     1213.5
_refine_ls_R_factor_all          0.035
_cod_original_formula_sum        'H16 Cs2 O26 P6 Zn2'
_cod_database_code               1008658
Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr; Journal of Solid State Chemistry 112 (1994) 355–361; doi:10.1006/jssc.1994.1316

data_1008659
_publ_section_title
;
Neutron powder diffraction study of the crystal structures of
Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              355
_journal_page_last               361
_journal_paper_doi               10.1006/jssc.1994.1316
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Sr2 Ru O4'
_chemical_formula_sum            'O4 Ru Sr2'
_chemical_name_systematic        'Distrontium ruthenium(IV) oxide'
_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                   3.8730(3)
_cell_length_b                   3.8730(3)
_cell_length_c                   12.7323(9)
_cell_volume                     191.0
_refine_ls_R_factor_all          0.09
_cod_database_code               1008659
Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr; Journal of Solid State Chemistry 112 (1994) 355–361; doi:10.1006/jssc.1994.1316

data_1008660
_publ_section_title
;
Neutron powder diffraction study of the crystal structures of
Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              355
_journal_page_last               361
_journal_paper_doi               10.1006/jssc.1994.1316
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Sr2 Ru O4'
_chemical_formula_sum            'O4 Ru Sr2'
_chemical_name_systematic        'Distrontium ruthenium(IV) oxide'
_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                   3.86358(7)
_cell_length_b                   3.86358(7)
_cell_length_c                   12.7155(4)
_cell_volume                     189.8
_refine_ls_R_factor_all          0.089
_cod_database_code               1008660
Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr; Journal of Solid State Chemistry 112 (1994) 355–361; doi:10.1006/jssc.1994.1316

data_1008661
_publ_section_title
;
Neutron powder diffraction study of the crystal structures of
Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              355
_journal_page_last               361
_journal_paper_doi               10.1006/jssc.1994.1316
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Sr2 Ir O4'
_chemical_formula_sum            'Ir O4 Sr2'
_chemical_name_systematic        'Distrontium iridium(IV) oxide'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2aw -1bw'
_symmetry_space_group_name_H-M   'I 41/a c d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.4994(1)
_cell_length_b                   5.4994(1)
_cell_length_c                   25.78409(80)
_cell_volume                     779.8
_refine_ls_R_factor_all          0.079
_cod_original_sg_symbol_H-M      'I 41/a c d S'
_cod_database_code               1008661