LMucko/crystallography-open-database huggingface dataset:
Structure and luminescence of some rare earth halotungstates of the type Ln3WO6Cl3
Brixner, L. H.; Chen, H. Y.; Foris, C. M.; Journal of Solid State Chemistry 44 (1982) 99–107; doi:

data_1546417
_publ_section_title
;
 Structure and luminescence of some rare earth halotungstates of the type
 Ln3WO6Cl3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              99
_journal_page_last               107
_journal_volume                  44
_journal_year                    1982
_chemical_formula_sum            'Cl3 La3 O6 W'
_chemical_formula_weight         802.912
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   9.4048(5)
_cell_length_b                   9.4048(5)
_cell_length_c                   5.4253(3)
_cell_volume                     415.58(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    29.852
_exptl_crystal_density_diffrn    6.417
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             688
_refine_ls_number_parameters     25
_refine_ls_number_reflns         359
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.036
_cod_data_source_file            JSSC-1982-44-99-107.cif
_cod_data_source_block           La3WO6Cl3
_cod_original_cell_volume        415.58(6)
_cod_database_code               1546417
In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.
Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P.; Yang, Xiao-Qing; Khalifah, Peter G.; Journal of the American Chemical Society  (2017) –; doi:10.1021/jacs.7b02323

data_4126244
_publ_contact_author             'Peter Khalifah'
_publ_section_title
;
 In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis
 Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.7b02323
_journal_year                    2017
_chemical_formula_moiety         'Na2 Mg2 P3 O9 N'
_chemical_formula_sum            'Mg2 N Na2 O9 P3'
_chemical_formula_weight         345.5
_chemical_name_common            'sodium magnesium nitrodophosphate'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.243848(19)
_cell_length_b                   9.243848(19)
_cell_length_c                   9.243848(19)
_cell_measurement_temperature    300
_cell_volume                     789.875(3)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'synchrotron X-ray powder diffractrometer'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77878
_diffrn_source                   synchrotron_xray
_exptl_crystal_colour            white
_exptl_crystal_description       powder
_pd_instr_location               'X14A, NSLS, BNL(USA)'
_pd_meas_scan_method             'constant wavelength xray'
_cod_data_source_file            ja7b02323_si_013.cif
_cod_data_source_block           Na2Mg2P3O9N_Rietveldrefinement_synchrotronXray
_cod_original_cell_volume        789.8750(50)
_cod_original_sg_symbol_H-M      P213
_cod_original_formula_sum        'Na2 Mg2 P3 O9 N'
_cod_database_code               4126244
Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21
Bevan, D. J. M.; Drennan, J.; Rossell, H. J.; Acta Crystallographica, Section B 38 (1982) 2991–2997; doi:

data_2108047
_publ_section_title
;
 Structure determination of the fluorite-related superstructure phases
 Er10W2O21 and Y10W2O21
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2991
_journal_page_last               2997
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Er10 O21 W2'
_chemical_formula_weight         2376.26
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.8221(11)
_cell_length_b                   10.4814(9)
_cell_length_c                   10.5407(8)
_cell_volume                     1748.0(2)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    9.029
_refine_ls_number_reflns         158
_refine_ls_R_I_factor            0.051
_cod_data_source_file            Acta-Cryst-1982-B38-2991-2997-1.cif
_cod_data_source_block           Er10W2O21
_cod_depositor_comments
;
Powder, Guinier photographs, peak areas
measured with a planimeter.
B fixed to 0.0 which Platon disliked and changed to U = 0.05
;
_cod_original_cell_volume        1748.1(2)
_cod_database_code               2108047
Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21
Bevan, D. J. M.; Drennan, J.; Rossell, H. J.; Acta Crystallographica, Section B 38 (1982) 2991–2997; doi:

data_2108048
_publ_section_title
;
 Structure determination of the fluorite-related superstructure phases
 Er10W2O21 and Y10W2O21
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2991
_journal_page_last               2997
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'O21 W2 Y10'
_chemical_formula_weight         1592.73
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.8761(13)
_cell_length_b                   10.5232(8)
_cell_length_c                   10.5778(10)
_cell_volume                     1767.2(3)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    5.986
_refine_ls_number_reflns         159
_refine_ls_R_I_factor            0.037
_cod_data_source_file            Acta-Cryst-1982-B38-2991-2997-2.cif
_cod_data_source_block           Y10W2O21
_cod_depositor_comments
;
Powder, Guinier photographs, peak areas
measured with a planimeter.
B fixed to 0.0 which Platon disliked and changed to U = 0.05
;
_cod_database_code               2108048
Structure determination of Tl4V2O7 from powder diffraction data using an Inel X-ray PSD: stereochemical activity of thallium(I) lone pair
Jouanneaux, A.; Joubert, O.; Evain, M.; Ganne, M.; Powder Diffraction 7 (1992) 206–211; doi:

data_1546430
_publ_section_title
;
 Structure determination of Tl4V2O7 from powder diffraction data using an
 Inel X-ray PSD: stereochemical activity of thallium(I) lone pair
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              206
_journal_page_last               211
_journal_volume                  7
_journal_year                    1992
_chemical_formula_sum            'O7 Tl4 V2'
_chemical_formula_weight         1031.41
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            1
_cell_length_a                   5.9388(2)
_cell_length_b                   5.9388(2)
_cell_length_c                   7.7322(3)
_cell_volume                     236.173(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    148.0
_exptl_crystal_density_diffrn    7.25
_exptl_crystal_density_meas      7.36
_exptl_crystal_F_000             426
_pd_proc_ls_prof_R_factor        0.112
_pd_proc_ls_prof_wR_expected     0.052
_pd_proc_ls_prof_wR_factor       0.098
_refine_ls_number_parameters     27
_refine_ls_R_I_factor            0.041
_cod_data_source_file            Powder-Diffraction-1992-7-206-211.cif
_cod_data_source_block           Tl4V2O7
_cod_depositor_comments
;
This is Rietveld refinement from the Debye-Scherrer geometry result Inel data

In the paper there is another result from Bragg-Brentano data :

_pd_proc_ls_prof_R_factor              0.095  
_pd_proc_ls_prof_wR_factor                0.095
_pd_proc_ls_prof_wR_expected              0.065
_refine_ls_R_I_factor             0.039
  
;
_cod_original_cell_volume        236.17(2)
_cod_database_code               1546430
The anti-perovskite-like crystal structure of tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M = V, Cr, Fe)
Kummer, S.; Babel, D.; Zeitschrift fur Naturforschung  (1987) 1403–1410; doi:

data_7228608
_publ_section_title
;
 The anti-perovskite-like crystal structure of
 tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M
 = V, Cr, Fe)
;
_journal_name_full               'Zeitschrift fur Naturforschung'
_journal_page_first              1403
_journal_page_last               1410
_journal_volume                  42b
_journal_year                    1987
_chemical_formula_moiety         'Cu3 F6 H24 O12 V, F6 V'
_chemical_formula_sum            'Cu3 F12 H24 O12 V2'
_chemical_formula_weight         736.684
_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                91.01(1)
_cell_angle_beta                 89.80(2)
_cell_angle_gamma                92.84(1)
_cell_formula_units_Z            1
_cell_length_a                   7.508(2)
_cell_length_b                   7.607(1)
_cell_length_c                   8.122(1)
_cell_volume                     463.23(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.365
_exptl_crystal_density_diffrn    2.64
_exptl_crystal_F_000             361
_refine_ls_number_reflns         2485
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_gt          0.0239
_cod_data_source_file            Z-Naturforsch-1987-42b-1403-1410-1.cif
_cod_data_source_block           Cu3V2F12.12H2O
_cod_depositor_comments          'Added O6'
_cod_original_formula_sum        'H24 Cu3 F12 O12 V2'
_cod_database_code               7228608
The anti-perovskite-like crystal structure of tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M = V, Cr, Fe)
Kummer, S.; Babel, D.; Zeitschrift fur Naturforschung  (1987) 1403–1410; doi:

data_7228609
_publ_section_title
;
 The anti-perovskite-like crystal structure of
 tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M
 = V, Cr, Fe)
;
_journal_name_full               'Zeitschrift fur Naturforschung'
_journal_page_first              1403
_journal_page_last               1410
_journal_volume                  42b
_journal_year                    1987
_chemical_formula_sum            'Cr2 Cu3 F12 H24 O12'
_chemical_formula_weight         738.793
_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                90.69(1)
_cell_angle_beta                 89.90(2)
_cell_angle_gamma                92.84(1)
_cell_formula_units_Z            1
_cell_length_a                   7.468(1)
_cell_length_b                   7.595(1)
_cell_length_c                   8.092(2)
_cell_volume                     458.38(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.573
_exptl_crystal_density_diffrn    2.67
_refine_ls_number_reflns         2547
_refine_ls_R_factor_gt           0.0259
_refine_ls_wR_factor_gt          0.0233
_cod_data_source_file            Z-Naturforsch-1987-42b-1403-1410-2.cif
_cod_data_source_block           Cu3Cr2F12.12H2O
_cod_original_formula_sum        'H24 Cr2 Cu3 F12 O12'
_cod_database_code               7228609
The anti-perovskite-like crystal structure of tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M = V, Cr, Fe)
Kummer, S.; Babel, D.; Zeitschrift fur Naturforschung  (1987) 1403–1410; doi:

data_7228610
_publ_section_title
;
 The anti-perovskite-like crystal structure of
 tris[tetraquocopper(II)]-bis[hexafluorometallates(III)] Cu3M2F12.12H2O (M
 = V, Cr, Fe)
;
_journal_name_full               'Zeitschrift fur Naturforschung'
_journal_page_first              1403
_journal_page_last               1410
_journal_volume                  42b
_journal_year                    1987
_chemical_formula_sum            'Cu3 F12 Fe2 H24 O12'
_chemical_formula_weight         746.49
_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                90.81(1)
_cell_angle_beta                 89.82(1)
_cell_angle_gamma                92.99(1)
_cell_formula_units_Z            1
_cell_length_a                   7.504(1)
_cell_length_b                   7.612(1)
_cell_length_c                   8.124(1)
_cell_volume                     463.37(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.908
_exptl_crystal_density_diffrn    2.67
_refine_ls_number_reflns         2052
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_gt          0.0264
_cod_data_source_file            Z-Naturforsch-1987-42b-1403-1410-3.cif
_cod_data_source_block           Cu3Fe2F12.12H2O
_cod_original_formula_sum        'H24 Cu3 F12 Fe2 O12'
_cod_database_code               7228610
Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4
Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.; Journal of Materials Chemistry 4 (1994) 707–711; doi:

data_7228628
_publ_section_title
;
 Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and
 Na5Y(MoO4)4
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              707
_journal_page_last               711
_journal_volume                  4
_journal_year                    1994
_chemical_formula_sum            'Mo4 Na5 O16 Y'
_chemical_formula_weight         843.605
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.374(3)
_cell_length_b                   11.374(3)
_cell_length_c                   11.440(5)
_cell_volume                     1480.0(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.405
_exptl_crystal_density_diffrn    3.786
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1560
_refine_ls_number_parameters     59
_refine_ls_number_reflns         1403
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_gt          0.0338
_cod_data_source_file            J-Mater-Chem-1994-4-707-711-1.cif
_cod_data_source_block           Na5Y(MoO4)4
_cod_original_cell_volume        1480.0(10)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7228628
Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4
Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.; Journal of Materials Chemistry 4 (1994) 707–711; doi:

data_7228629
_publ_section_title
;
 Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and
 Na5Y(MoO4)4
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              707
_journal_page_last               711
_journal_volume                  4
_journal_year                    1994
_chemical_formula_sum            'Mo2 Na O8 Y'
_chemical_formula_weight         431.77
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   5.19890(5)
_cell_length_b                   5.19890(5)
_cell_length_c                   11.3299(1)
_cell_volume                     306.231(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    46.417
_exptl_crystal_density_diffrn    4.683
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             396
_pd_proc_ls_prof_R_factor        0.0937
_pd_proc_ls_prof_wR_factor       0.1252
_refine_ls_R_I_factor            0.0549
_cod_data_source_file            J-Mater-Chem-1994-4-707-711-2.cif
_cod_data_source_block           NaY(MoO4)2
_cod_original_cell_volume        306.231(6)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7228629
Crystal structure of tetramethylammonium hexachloroplatinate(IV)
Berg, Rolf W.; Sotofte, Inger; Acta Chemica Scandinavica A 32 (1978) 241–244; doi:

data_1546458
_publ_section_title
;
 Crystal structure of tetramethylammonium hexachloroplatinate(IV)
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              241
_journal_page_last               244
_journal_volume                  32
_journal_year                    1978
_chemical_formula_sum            'C8 H24 Cl6 N2 Pt'
_chemical_formula_weight         556.1
_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                   12.720(4)
_cell_length_b                   12.720(4)
_cell_length_c                   12.720(4)
_cell_volume                     2058.1(11)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.93
_exptl_crystal_density_diffrn    1.79
_exptl_crystal_density_meas      1.81
_exptl_crystal_F_000             1064
_refine_ls_number_reflns         113
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.026
_cod_data_source_file            Acta-Chem-Scand-1978-A32-241-244.cif
_cod_data_source_block           1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12
;
_cod_original_cell_volume        2058.1(19)
_cod_original_formula_sum        'H24 C8 Cl6 N2 Pt'
_cod_database_code               1546458
Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O
Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M.; Journal of Solid State Chemistry 56 (1985) 370–378; doi:

data_1546477
_publ_section_title
;
 Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              370
_journal_page_last               378
_journal_volume                  56
_journal_year                    1985
_chemical_formula_sum            'H9 O9 P V'
_chemical_formula_weight         234.98
_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                79.95(2)
_cell_angle_beta                 76.33(3)
_cell_angle_gamma                71.03(3)
_cell_formula_units_Z            4
_cell_length_a                   6.379(2)
_cell_length_b                   8.921(2)
_cell_length_c                   13.462(3)
_cell_volume                     700.0(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.75
_exptl_crystal_density_diffrn    2.23
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1250
_refine_ls_R_factor_gt           0.058
_refine_ls_wR_factor_gt          0.065
_cod_data_source_file            JSSC-1985-56-370-378-1.cif
_cod_data_source_block           4H2O
_cod_database_code               1546477
Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O
Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M.; Journal of Solid State Chemistry 56 (1985) 370–378; doi:

data_1546478
_publ_section_title
;
 Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              370
_journal_page_last               378
_journal_volume                  56
_journal_year                    1985
_chemical_formula_sum            'H2 O5.5 P V'
_chemical_formula_weight         171.93
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.420(1)
_cell_length_b                   9.609(2)
_cell_length_c                   5.6931(7)
_cell_volume                     405.91(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.67
_exptl_crystal_density_diffrn    2.81
_exptl_crystal_F_000             332
_refine_ls_number_parameters     45
_refine_ls_number_reflns         458
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            JSSC-1985-56-370-378-2.cif
_cod_data_source_block           0.5H2O
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               1546478