LMucko/crystallography-open-database huggingface dataset:
Alluaudite Na2Co2Fe(PO4)3 as an electroactive material for sodium ion batteries.
Essehli, R.; Belharouak, I.; Ben Yahia, H.; Maher, K.; Abouimrane, A.; Orayech, B.; Calder, S.; Zhou, X. L.; Zhou, Z.; Sun, Y.-K.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7881–7886; doi:10.1039/c5dt00971e

data_7034577
_publ_section_title
;
 Alluaudite Na2Co2Fe(PO4)3 as an electroactive material for sodium ion
 batteries.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7881
_journal_page_last               7886
_journal_paper_doi               10.1039/c5dt00971e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'Co1.935 Fe1.065 Na2 O12 P3'
_chemical_formula_weight         504.4
_chemical_name_systematic        ' ?'
_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                 113.913(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7599(3)
_cell_length_b                   12.4522(3)
_cell_length_c                   6.44063(16)
_cell_measurement_temperature    293
_cell_volume                     862.19(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.413
_exptl_absorpt_coefficient_mu    0.047
_exptl_crystal_density_diffrn    3.8859
_exptl_crystal_F_000             972
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        123.975
_pd_meas_2theta_range_min        5.025
_pd_meas_number_of_points        2380
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        123.975
_pd_proc_2theta_range_min        17.625
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0236
_pd_proc_ls_prof_wR_expected     0.0393
_pd_proc_ls_prof_wR_factor       0.0299
_refine_diff_density_max         0.02
_refine_diff_density_min         -0.03
_refine_ls_goodness_of_fit_all   0.76
_refine_ls_number_constraints    0
_refine_ls_number_parameters     59
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0113
_refine_ls_R_factor_gt           0.0103
_refine_ls_shift/su_max          0.0051
_refine_ls_shift/su_mean         0.0002
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0114
_refine_ls_wR_factor_gt          0.0113
_cod_data_source_file            c5dt00971e2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7034577.cif.'
_cod_original_cell_volume        862.18(4)
_cod_database_code               7034577
Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides
Senocq, F.; Viguier, N.; Gleizes, A.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1185–1197; doi:

data_4030850
_publ_section_title
;
 Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV):
 synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of
 Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical
 vapour deposition of titanium sulfides
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1185
_journal_page_last               1197
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'C18 H28 S2 Ti'
_chemical_formula_weight         356.43
_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                 108.27(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.450(6)
_cell_length_b                   9.279(3)
_cell_length_c                   12.707(4)
_cell_volume                     1841.8(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.626
_exptl_crystal_density_diffrn    1.29
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1898
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            EJSSIC-1996-33-1185-1197-1.cif
_cod_data_source_block           Ti-compound
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4030850
Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides
Senocq, F.; Viguier, N.; Gleizes, A.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1185–1197; doi:

data_4030851
_publ_section_title
;
 Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV):
 synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of
 Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical
 vapour deposition of titanium sulfides
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1185
_journal_page_last               1197
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'C18 H28 S2 Zr'
_chemical_formula_weight         399.76
_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                 107.86(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.604(8)
_cell_length_b                   9.384(2)
_cell_length_c                   12.884(6)
_cell_volume                     1910.7(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.700
_exptl_crystal_density_diffrn    1.36
_refine_ls_number_parameters     104
_refine_ls_number_reflns         2992
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.036
_cod_data_source_file            EJSSIC-1996-33-1185-1197-2.cif
_cod_data_source_block           Zr-compound
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4030851
K6Nb4S25, the first ternary niobium polysulfide exhibiting the complex anion [Nb4S25]6- : preparation and crystal structure determination
Bensch, W.; Durichen, P.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1233–1240; doi:

data_4030852
_publ_section_title
;
 K6Nb4S25, the first ternary niobium polysulfide exhibiting the complex
 anion [Nb4S25]6- : preparation and crystal structure determination
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1233
_journal_page_last               1240
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'K6 Nb4 S25'
_chemical_formula_weight         1407.7
_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                 104.03(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.710(3)
_cell_length_b                   12.984(3)
_cell_length_c                   18.219(4)
_cell_volume                     3605.4(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.379
_exptl_crystal_density_diffrn    2.594
_exptl_crystal_F_000             2712
_refine_ls_goodness_of_fit_ref   1.48
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5140
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_gt          0.0259
_cod_data_source_file            EJSSIC-1996-33-1233-1240.cif
_cod_data_source_block           K6Nb4S25
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030852
Nickel distribution on aluminium sites in LaNiAl11O19
Slagtern, A.; Fjellvag, H.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1241–1252; doi:

data_4030853
_publ_section_title
;
 Nickel distribution on aluminium sites in LaNiAl11O19
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1241
_journal_page_last               1252
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Al11 La Ni O19'
_chemical_formula_weight         798.38
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.58968(4)
_cell_length_b                   5.58968(4)
_cell_length_c                   22.0141(2)
_cell_volume                     595.670(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.098
_exptl_absorpt_coefficient_mu    17.599
_exptl_crystal_density_diffrn    4.363
_exptl_crystal_F_000             746
_pd_proc_ls_prof_R_factor        0.054
_cod_data_source_file            EJSSIC-1996-33-1241-1252.cif
_cod_data_source_block           LaNiAl11O19
_cod_depositor_comments
;
synchrotron data, Rietveld refinements, GSAS software
thermal parameters not given, set to B = 1.
;
_cod_original_cell_volume        595.670(12)
_cod_database_code               4030853
Preparation and crystal structure of K6Nb10.9O30
Kumada, N.; Kinomura, N.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 65–72; doi:

data_4030854
_publ_section_title
;
 Preparation and crystal structure of K6Nb10.9O30
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              65
_journal_page_last               72
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'K6 Nb10.9 O30'
_chemical_formula_weight         1727.2
_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                   12.582(1)
_cell_length_b                   12.582(1)
_cell_length_c                   3.992(3)
_cell_volume                     632.0(5)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.65
_exptl_crystal_density_diffrn    4.54
_exptl_crystal_F_000             800
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_number_parameters     47
_refine_ls_number_reflns         392
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.055
_cod_data_source_file            EJSSIC-1997-34-65-72.cif
_cod_data_source_block           K6Nb10.9O30
_cod_database_code               4030854
Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Simon, M.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 73–84; doi:

data_4030855
_publ_section_title
;
 Action of ammonium chloride and bromide on vanadium, niobium and
 tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5],
 (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Br5 H11 N3 V'
_chemical_formula_weight         503.569
_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                   14.244(9)
_cell_length_b                   10.911(7)
_cell_length_c                   7.320(4)
_cell_volume                     1137.6(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    18.46
_exptl_crystal_F_000             876
_refine_ls_number_reflns         1374
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_gt          0.0687
_cod_data_source_file            EJSSIC-1997-34-73-84-1.cif
_cod_data_source_block           compound-1
_cod_original_cell_volume        1137.7(12)
_cod_original_formula_sum        'H11 Br5 N3 V'
_cod_database_code               4030855
Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Simon, M.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 73–84; doi:

data_4030856
_publ_section_title
;
 Action of ammonium chloride and bromide on vanadium, niobium and
 tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5],
 (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cl17 H28 N10 Ta5'
_chemical_formula_weight         1675.73
_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                   13.4072(9)
_cell_length_b                   13.4072(9)
_cell_length_c                   10.1224(12)
_cell_volume                     1819.5(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    15.536
_exptl_crystal_F_000             1448
_refine_ls_number_reflns         555
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_gt          0.1459
_cod_data_source_file            EJSSIC-1997-34-73-84-2.cif
_cod_data_source_block           compound-2
_cod_depositor_comments
;
 Renaming atoms 'C11', 'C12', 'C131', 'C132' to 'Cl1', 'Cl2',
 'Cl31', 'Cl32', changing their atom site symbol from 'C' to 'Cl'
 and marking attached hydrogen atoms after consulting the original
 publication.

 Antanas Vaitkus,
 2016-12-11
;
_cod_original_formula_sum        'H28 Cl17 N10 Ta5'
_cod_database_code               4030856
Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Simon, M.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 73–84; doi:

data_4030857
_publ_section_title
;
 Action of ammonium chloride and bromide on vanadium, niobium and
 tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5],
 (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Br6 H8 N2 Nb'
_chemical_formula_weight         608.407
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.553(2)
_cell_length_b                   10.553(2)
_cell_length_c                   10.553(2)
_cell_volume                     1175.2(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    21.363
_exptl_crystal_F_000             1060
_refine_ls_number_reflns         121
_refine_ls_R_factor_gt           0.0630
_refine_ls_wR_factor_gt          0.1159
_cod_data_source_file            EJSSIC-1997-34-73-84-3.cif
_cod_data_source_block           compound-3
_cod_original_cell_volume        1175.2(7)
_cod_original_formula_sum        'H8 Br6 N2 Nb'
_cod_database_code               4030857
Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Simon, M.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 73–84; doi:

data_4030858
_publ_section_title
;
 Action of ammonium chloride and bromide on vanadium, niobium and
 tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5],
 (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cl10 H12 N4 Ta2'
_chemical_formula_weight         784.547
_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                   6.9899(6)
_cell_length_b                   6.9899(6)
_cell_length_c                   18.561(3)
_cell_volume                     906.87(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    13.395
_exptl_crystal_F_000             712
_refine_ls_number_reflns         365
_refine_ls_R_factor_gt           0.0278
_refine_ls_wR_factor_gt          0.0572
_cod_data_source_file            EJSSIC-1997-34-73-84-4.cif
_cod_data_source_block           compound-4
_cod_original_cell_volume        906.9(2)
_cod_original_formula_sum        'H12 Cl10 N4 Ta2'
_cod_database_code               4030858
Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Simon, M.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 73–84; doi:

data_4030859
_publ_section_title
;
 Action of ammonium chloride and bromide on vanadium, niobium and
 tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5],
 (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Br10 H12 N4 Ta2'
_chemical_formula_weight         1229.06
_space_group_IT_number           128
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2834(3)
_cell_length_b                   7.2834(3)
_cell_length_c                   19.403(1)
_cell_volume                     1029.29(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    29.889
_exptl_crystal_F_000             1048
_refine_ls_number_reflns         783
_refine_ls_R_factor_gt           0.0425
_refine_ls_wR_factor_gt          0.0820
_cod_data_source_file            EJSSIC-1997-34-73-84-5.cif
_cod_data_source_block           compound-5
_cod_original_cell_volume        1029.29(10)
_cod_original_formula_sum        'H12 Br10 N4 Ta2'
_cod_database_code               4030859
Chemical preparation, thermal behavior and crystal structure of cadmium-potassium cyclohexaphosphate octahydrate
Abid, S.; Rzaigui, M.; Bagieu-Beucher, M.; Le Fur, Y.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 139–150; doi:

data_4030860
_publ_section_title
;
 Chemical preparation, thermal behavior and crystal structure of
 cadmium-potassium cyclohexaphosphate octahydrate
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              139
_journal_page_last               150
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cd2 H16 K2 O26 P6'
_chemical_formula_weight         920.97
_space_group_IT_number           2
_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                97.60(2)
_cell_angle_beta                 91.07(2)
_cell_angle_gamma                82.01(2)
_cell_formula_units_Z            2
_cell_length_a                   7.403(2)
_cell_length_b                   11.403(5)
_cell_length_c                   14.113(4)
_cell_volume                     1169.4(7)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    1.37
_exptl_crystal_density_diffrn    2.618
_exptl_crystal_F_000             896
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6378
_refine_ls_R_factor_gt           0.023
_refine_ls_wR_factor_gt          0.028
_cod_data_source_file            EJSSIC-1997-34-139-150.cif
_cod_data_source_block           Cd2K2
_cod_original_formula_sum        'H16 Cd2 K2 O26 P6'
_cod_database_code               4030860