LMucko/crystallography-open-database huggingface dataset:
; Chemistry of Materials  (2005) –; doi:10.1021/cm0512528

data_4000641
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0512528
_journal_year                    2005
_chemical_formula_sum            'C25 H27 F18 Mg N2 O6'
_chemical_formula_weight         817.80
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.156(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.170(5)
_cell_length_b                   15.244(6)
_cell_length_c                   19.126(7)
_cell_measurement_temperature    153(2)
_cell_volume                     3493(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.555
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4000641
Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier; Chemistry of Materials  (2005) –; doi:10.1021/cm0513379

data_4000642
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0513379
_journal_year                    2005
_chemical_formula_sum            'Li4 P2 Zn'
_chemical_formula_weight         155.1
_chemical_name_common            Li4ZnP2
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9035(1)
_cell_length_b                   5.9035(1)
_cell_length_c                   5.9035(1)
_cell_measurement_temperature    298
_cell_volume                     205.746(3)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.508
_pd_proc_ls_prof_R_factor        0.0571
_pd_proc_ls_prof_wR_factor       0.0733
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-09
;
_cod_original_sg_symbol_Hall     '-F 4;2;3'
_cod_original_formula_sum        'Li4 P2 Zn1'
_cod_database_code               4000642
Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier; Chemistry of Materials  (2005) –; doi:10.1021/cm0513379

data_4000643
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0513379
_journal_year                    2005
_chemical_formula_sum            'Li Zn4'
_chemical_formula_weight         268.54
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.7709(8)
_cell_length_b                   2.7709(8)
_cell_length_c                   4.3785(9)
_cell_measurement_temperature    298
_cell_volume                     29.09(2)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    6.075
_pd_proc_ls_prof_R_factor        0.0694
_pd_proc_ls_prof_wR_factor       0.0919
_cod_original_sg_symbol_Hall     '-P 6c;-2c'
_cod_original_formula_sum        'Li1 Zn4'
_cod_database_code               4000643
Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis
Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia; Chemistry of Materials 17 (2005) 5837–5842; doi:10.1021/cm051362e

data_4000644
_publ_section_title
;
 Metal&#x2212;Organic Scandium Framework:&#x00A0; Useful Material for
 Hydrogen Storage and Catalysis
;
_journal_issue                   23
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5837
_journal_page_last               5842
_journal_paper_doi               10.1021/cm051362e
_journal_volume                  17
_journal_year                    2005
_chemical_formula_moiety         'C12 H6 O6 Sc'
_chemical_formula_sum            'C12 H6 O6 Sc'
_chemical_formula_weight         291.13
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   8.7433(5)
_cell_length_b                   20.7448(11)
_cell_length_c                   34.3664(18)
_cell_measurement_temperature    275(2)
_cell_volume                     6233.3(6)
_diffrn_ambient_temperature      275(2)
_exptl_crystal_density_diffrn    1.241
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4000644
; Chemistry of Materials  (2005) –; doi:

data_4000645
_journal_name_full               'Chemistry of Materials'
_journal_year                    2005
_chemical_formula_sum            'C36 H112 N24 Si6 Ti2'
_chemical_formula_weight         1145.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.971(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.064(2)
_cell_length_b                   12.7709(14)
_cell_length_c                   19.980(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3234.9(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.176
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4000645
; Chemistry of Materials  (2005) –; doi:10.1021/cm051561y

data_4000646
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051561y
_journal_year                    2005
_chemical_formula_moiety         'C24 H30 Br2 N2 S2 '
_chemical_formula_sum            'C24 H30 Br2 N2 S2'
_chemical_formula_weight         570.44
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.169(5)
_cell_angle_beta                 86.376(7)
_cell_angle_gamma                90.256(8)
_cell_formula_units_Z            2
_cell_length_a                   9.220(3)
_cell_length_b                   11.433(3)
_cell_length_c                   11.776(3)
_cell_measurement_temperature    113.1
_cell_volume                     1216.6(6)
_exptl_crystal_density_diffrn    1.557
_cod_original_formula_sum        'C24 H30 Br2 N2 S2 '
_cod_database_code               4000646
; Chemistry of Materials  (2005) –; doi:10.1021/cm051563i

data_4000647
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051563i
_journal_year                    2005
_chemical_formula_sum            'C26 H32 F2 S2'
_chemical_formula_weight         446.64
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.49(3)
_cell_angle_beta                 82.94(3)
_cell_angle_gamma                76.76(2)
_cell_formula_units_Z            1
_cell_length_a                   4.7658(9)
_cell_length_b                   8.318(4)
_cell_length_c                   15.109(7)
_cell_measurement_temperature    120(2)
_cell_volume                     572.8(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.295
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000647
; Chemistry of Materials  (2005) –; doi:10.1021/cm051563i

data_4000648
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051563i
_journal_year                    2005
_chemical_formula_sum            'C34 H38 S4'
_chemical_formula_weight         574.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.192(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.705(6)
_cell_length_b                   8.9432(7)
_cell_length_c                   8.15390(10)
_cell_measurement_temperature    120(2)
_cell_volume                     1505.8(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.268
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000648
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000649
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Sm2 In Ge2'
_chemical_formula_sum            'Ge2 In Sm2'
_chemical_formula_weight         560.70
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.3811(14)
_cell_length_b                   7.3811(14)
_cell_length_c                   4.2637(16)
_cell_measurement_temperature    120(2)
_cell_volume                     232.29(11)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    8.016
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000649
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000650
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Gd2 In Ge2'
_chemical_formula_sum            'Gd2 Ge2 In'
_chemical_formula_weight         574.50
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.3394(8)
_cell_length_b                   7.3394(8)
_cell_length_c                   4.2296(9)
_cell_measurement_temperature    120(2)
_cell_volume                     227.83(6)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    8.374
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000650
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000651
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Tb2 In Ge2'
_chemical_formula_sum            'Ge2 In Tb2'
_chemical_formula_weight         577.84
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.3200(12)
_cell_length_b                   7.3200(12)
_cell_length_c                   4.1999(13)
_cell_measurement_temperature    120(2)
_cell_volume                     225.04(9)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    8.528
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000651
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000652
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Dy2 In Ge2'
_chemical_formula_sum            'Dy2 Ge2 In'
_chemical_formula_weight         585.00
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2961(14)
_cell_length_b                   7.2961(14)
_cell_length_c                   4.1694(17)
_cell_measurement_temperature    120(2)
_cell_volume                     221.95(11)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    8.753
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000652
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000653
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Ho2 In Ge2'
_chemical_formula_sum            'Ge2 Ho2 In'
_chemical_formula_weight         589.86
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2457(12)
_cell_length_b                   7.2457(12)
_cell_length_c                   4.1541(14)
_cell_measurement_temperature    120(2)
_cell_volume                     218.09(9)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    8.982
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000653
Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
Tobash, Paul H.; Bobev, Svilen; Chemistry of Materials  (2005) –; doi:10.1021/cm051618g

data_4000654
_publ_section_title
;
Crystal Growth, Structural and Property Studies on a Family of
Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm051618g
_journal_year                    2005
_chemical_formula_moiety         'Yb2 In Ge2'
_chemical_formula_sum            'Ge2 In Yb2'
_chemical_formula_weight         606.08
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1985(16)
_cell_length_b                   7.1985(16)
_cell_length_c                   4.3026(19)
_cell_measurement_temperature    120(2)
_cell_volume                     222.95(12)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    9.028
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000654
High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties of Cs~3~EuSi~6~O~15~, a Europium(III) Silicate with a Three-Dimensional Framework Structure
Huang, Meow-Yu; Chen, Yi-Hsiu; Chang, Bor-Chen; Lii, Kwang-Hwa; Chemistry of Materials 17 (2005) 5743–5747; doi:10.1021/cm051703o

data_4000655
_publ_section_title
;
High-Temperature, High-Pressure Hydrothermal Synthesis,
Crystal Structure, and Luminescence Properties of Cs~3~EuSi~6~O~15~,
a Europium(III) Silicate with a Three-Dimensional Framework
Structure
;
_journal_issue                   23
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5743
_journal_page_last               5747
_journal_paper_doi               10.1021/cm051703o
_journal_volume                  17
_journal_year                    2005
_chemical_formula_moiety         'Cs3 Eu O15 Si6'
_chemical_formula_sum            'Cs3 Eu O15 Si6'
_chemical_formula_weight         959.23
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.9760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.16640(10)
_cell_length_b                   28.4756(6)
_cell_length_c                   8.5418(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1683.90(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.784
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4000655
Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the Brownmillerite and K~2~NiF~4~-type Structures
Barrier, N.; Pelloquin, D.; Nguyen, N.; Giot, M.; Bourrée, F.; Raveau, B.; Chemistry of Materials 17 (2005) 6619–6623; doi:10.1021/cm051729f

data_4000656
_publ_section_title
;
Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the 
Brownmillerite and K~2~NiF~4~-type Structures
;
_journal_issue                   26
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6619
_journal_page_last               6623
_journal_paper_doi               10.1021/cm051729f
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Fe3 Nd O9 Sr3'
_chemical_formula_weight         718.6
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-B 2 2b'
_space_group_name_H-M_alt        'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5414(9)
_cell_length_b                   5.4986(9)
_cell_length_c                   28.810(5)
_cell_measurement_temperature    600
_cell_volume                     877.8(4)
_exptl_crystal_density_diffrn    5.4356
_pd_proc_ls_prof_R_factor        0.0381
_pd_proc_ls_prof_wR_factor       0.1164
_cod_original_sg_symbol_Hall     '-B -2yb;-2z'
_cod_original_formula_sum        'Fe3 Nd1 O9 Sr3'
_cod_database_code               4000656