LMucko/crystallography-open-database huggingface dataset:
Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei; RSC Advances 5 (2015) 59403–59407; doi:10.1039/C5RA08467A

data_7221948
_publ_section_title
;
 Ca/Sr ratio dependent structure and up-conversion luminescence of
 (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              59403
_journal_page_last               59407
_journal_paper_doi               10.1039/C5RA08467A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'Ho0.02 In7.40 O16 Yb0.40, 1.2(Sr), 2.8(Ca)'
_chemical_formula_sum            'Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4'
_chemical_formula_weight         1396.21
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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            1
_cell_length_a                   9.7188(12)
_cell_length_b                   3.23908(38)
_cell_length_c                   11.3825(14)
_cell_measurement_temperature    300
_cell_volume                     358.32(8)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    112.771
_exptl_crystal_density_diffrn    6.470
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160352
_pd_meas_2theta_range_max        120.004454
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        8.315
_pd_proc_ls_prof_wR_expected     6.338
_pd_proc_ls_prof_wR_factor       10.816
_pd_proc_number_of_points        7172
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.706
_refine_ls_R_I_factor            4.98
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Ca0p7Sr0p3In2O4_0p005Ho_0p1Yb.cif
_cod_data_source_block           a
_cod_original_cell_volume        358.322(74)
_cod_original_sg_symbol_Hall
;
-P 2ac 2n
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
;
Ca2.80 Ho0.02 In7.40 O16 Sr1.20 Yb0.40
;
_cod_database_code               7221948
_cod_database_fobs_code          7221948
Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates
V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin; Dalton Transactions 44 (2015) 1805–1815; doi:10.1039/C4DT03203A

data_7036337
_publ_section_title
;
 Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in
 molybdates
;
_journal_issue                   4
_journal_name_full               'Dalton Transactions'
_journal_page_first              1805
_journal_page_last               1815
_journal_paper_doi               10.1039/C4DT03203A
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Mo2 O8 Sm, Rb'
_chemical_formula_sum            'Mo2 O8 Rb Sm'
_chemical_formula_weight         555.7059
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_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                   5.09838(18)
_cell_length_b                   18.97424(63)
_cell_length_c                   8.04487(26)
_cell_measurement_temperature    300
_cell_volume                     778.24(5)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    89.655
_exptl_crystal_density_diffrn    4.742839
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0207570455
_pd_meas_2theta_range_max        100.004997
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.364
_pd_proc_ls_prof_wR_expected     1.895
_pd_proc_ls_prof_wR_factor       4.817
_pd_proc_number_of_points        4577
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.542
_refine_ls_R_I_factor            1.72
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            RbSmMo2O8.cif
_cod_data_source_block           a
_cod_original_cell_volume        778.244(45)
_cod_original_sg_symbol_Hall
;
-P 2n 2ab
;
_cod_original_sg_symbol_H-M      Pbcn
_cod_original_formula_sum
;
Mo2 O8 Rb Sm
;
_cod_database_code               7036337
_cod_database_fobs_code          7036337
The refined crystal structure of lanthanum metaborate La (B O2)3
Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G.; Kristallografiya 26 (1981) 837–840; doi:

data_1529511
_publ_section_title
;
 The refined crystal structure of lanthanum metaborate La (B O2)3
;
_journal_name_full               Kristallografiya
_journal_page_first              837
_journal_page_last               840
_journal_volume                  26
_journal_year                    1981
_chemical_formula_sum            'B3 La O6'
_chemical_name_systematic        'La (B O2)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.509
_cell_length_b                   8.172
_cell_length_c                   7.983
_cell_volume                     423.867
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Abdullaev_KRISAJ_1981_1971.cif
_cod_data_source_block           B3La1O6
_cod_original_cell_volume        423.8674
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'B3 La1 O6'
_cod_database_code               1529511
The refinement of the crystal structure of copper metaborate Cu B2 O4
Abdullaev, G.K.; Mamedov, H.S.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 22 (1981) 184–187; doi:

data_1529512
_publ_section_title
;
 The refinement of the crystal structure of copper metaborate Cu B2 O4
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              184
_journal_page_last               187
_journal_volume                  22
_journal_year                    1981
_chemical_formula_sum            'B2 Cu O4'
_chemical_name_systematic        'Cu (B2 O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.506
_cell_length_b                   11.506
_cell_length_c                   5.644
_cell_volume                     747.198
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Abdullaev_ZSTKAI_1981_1697.cif
_cod_data_source_block           B2Cu1O4
_cod_original_formula_sum        'B2 Cu1 O4'
_cod_database_code               1529512
Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system
Abou Ghaloun, O.; Chevalier, P.; Trichet, L.; Rouxel, J.; Solid State Ionics 2 (1981) 231–235; doi:

data_1529513
_publ_section_title
;
 Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2
 system
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              231
_journal_page_last               235
_journal_volume                  2
_journal_year                    1981
_chemical_formula_sum            'Cr0.9 Na0.9 S2 Ti0.1'
_chemical_name_systematic        'Na0.9 Cr0.9 Ti0.1 S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.558
_cell_length_b                   3.558
_cell_length_c                   19.51
_cell_volume                     213.895
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            AbouGhaloun_SSIOD3_1981_668.cif
_cod_data_source_block           Cr0.9Na0.9S2Ti0.1
_cod_original_cell_volume        213.8946
_cod_database_code               1529513
Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system
Abou Ghaloun, O.; Rouxel, J.; Chevalier, P.; Trichet, L.; Solid State Ionics 2 (1981) 231–235; doi:

data_1529514
_publ_section_title
;
 Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2
 system
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              231
_journal_page_last               235
_journal_volume                  2
_journal_year                    1981
_chemical_formula_sum            'Cr0.7 Na0.7 S2 Ti0.3'
_chemical_name_systematic        'Na0.7 Cr0.7 Ti0.3 S2'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.48
_cell_length_b                   3.48
_cell_length_c                   20.55
_cell_volume                     215.527
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            AbouGhaloun_SSIOD3_1981_669.cif
_cod_data_source_block           Cr0.7Na0.7S2Ti0.3
_cod_original_cell_volume        215.5266
_cod_database_code               1529514
Piezoelectric langbeinite-type K2 Cd2 (S O4)3. Room temperature crystal structure and ferroelastic transformation
Abrahams, S.C.; Bernstein, J.L.; Journal of Chemical Physics 67 (1977) 2146–2150; doi:

data_1529515
_publ_section_title
;
 Piezoelectric langbeinite-type K2 Cd2 (S O4)3. Room temperature crystal
 structure and ferroelastic transformation
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2146
_journal_page_last               2150
_journal_volume                  67
_journal_year                    1977
_chemical_formula_sum            'Cd2 K2 O12 S3'
_chemical_name_systematic        'K2 Cd2 (S O4)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2082
_cell_length_b                   10.2837
_cell_length_c                   10.1661
_cell_volume                     1067.218
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1977_339.cif
_cod_data_source_block           Cd2K2O12S3
_cod_database_code               1529515
Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four temperatures below and one above the 432 K ferroelastic- paraelastic transition
Abrahams, S.C.; Lissalde, F.; Bernstein, J.L.; Journal of Chemical Physics 68 (1978) 1926–1935; doi:

data_1529516
_publ_section_title
;
 Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four
 temperatures below and one above the 432 K ferroelastic- paraelastic
 transition
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1926
_journal_page_last               1935
_journal_volume                  68
_journal_year                    1978
_chemical_formula_sum            'Cd2 K2 O12 S3'
_chemical_name_systematic        'K2 Cd2 (S O4)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2386
_cell_length_b                   10.2951
_cell_length_c                   10.1981
_cell_volume                     1074.955
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1978_294.cif
_cod_data_source_block           Cd2K2O12S3
_cod_database_code               1529516
Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure
Abrahams, S.C.; Bernstein, J.L.; Journal of Chemical Physics 69 (1978) 4234–4237; doi:

data_1529517
_publ_section_title
;
 Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4234
_journal_page_last               4237
_journal_volume                  69
_journal_year                    1978
_chemical_formula_sum            'H6 I Na O7'
_chemical_name_systematic        'Na (H3 O) (I (O H)3 O3)'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.04272
_cell_length_b                   6.04272
_cell_length_c                   13.2317
_cell_volume                     418.419
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1978_437.cif
_cod_data_source_block           H6I1Na1O7
_cod_original_cell_volume        418.4188
_cod_original_formula_sum        'H6 I1 Na1 O7'
_cod_database_code               1529517
Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V.
Abrahams, S.C.; Bernstein, J.L.; Journal of Chemical Physics 69 (1978) 2505–2513; doi:

data_1529518
_publ_section_title
;
 Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the
 transition metal iodates. V.
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2505
_journal_page_last               2513
_journal_volume                  69
_journal_year                    1978
_chemical_formula_sum            'H15 I10 La3 O37'
_chemical_name_systematic        '(La (I O3)3)3 (H I O3) (H2 O)7'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1801
_cell_length_b                   21.7208
_cell_length_c                   12.1551
_cell_volume                     3479.790
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1978_599.cif
_cod_data_source_block           H15I10La3O37
_cod_original_cell_volume        3479.79
_cod_database_code               1529518
Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature dependence from 298 K through the transition at 436 K to the antiferroelectric-paraelastic phase at 523 K
Abrahams, S.C.; Bernstein, J.L.; Svensson, C.; Journal of Chemical Physics 72 (1980) 4278–4285; doi:

data_1529519
_publ_section_title
;
 Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature
 dependence from 298 K through the transition at 436 K to the
 antiferroelectric-paraelastic phase at 523 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4278
_journal_page_last               4285
_journal_volume                  72
_journal_year                    1980
_chemical_formula_sum            'Mo3 O12 Tb2'
_chemical_name_systematic        'Tb2 (Mo O4)3'
_space_group_IT_number           32
_symmetry_space_group_name_Hall  'P 2 -2ab'
_symmetry_space_group_name_H-M   'P b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3656
_cell_length_b                   10.3876
_cell_length_c                   10.6471
_cell_volume                     1146.413
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1980_600.cif
_cod_data_source_block           Mo3O12Tb2
_cod_database_code               1529519
Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of cobalt-hardened gold electrodeposition process component
Abrahams, S.C.; Bernstein, J.L.; Eisenmann, E.T.; Liminga, R.; Journal of Chemical Physics 73 (1980) 4585–4590; doi:

data_1529520
_publ_section_title
;
 Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of
 cobalt-hardened gold electrodeposition process component
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4585
_journal_page_last               4590
_journal_volume                  73
_journal_year                    1980
_chemical_formula_sum            'C6 Au3 Co K N6'
_chemical_name_systematic        'K Co (Au (C N)2)3'
_space_group_IT_number           149
_symmetry_space_group_name_Hall  'P 3 2'
_symmetry_space_group_name_H-M   'P 3 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.82802
_cell_length_b                   6.82802
_cell_length_c                   7.80807
_cell_volume                     315.256
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1980_715.cif
_cod_data_source_block           C6Au3Co1K1N6
_cod_original_cell_volume        315.2564
_cod_original_formula_sum        'C6 Au3 Co1 K1 N6'
_cod_database_code               1529520
Ferroelectric structure and related properties of Pb5 W3 O9 F10
Abrahams, S.C.; Marsh, P.; Ravez, J.; Journal of Chemical Physics 87 (1987) 6012–6020; doi:

data_1529521
_publ_section_title
;
 Ferroelectric structure and related properties of Pb5 W3 O9 F10
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6012
_journal_page_last               6020
_journal_volume                  87
_journal_year                    1987
_chemical_formula_sum            'F10 O9 Pb5 W3'
_chemical_name_systematic        'Pb5 W3 O9 F10'
_space_group_IT_number           79
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.583
_cell_length_b                   14.583
_cell_length_c                   7.365
_cell_volume                     1566.270
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1987_1516.cif
_cod_data_source_block           F10O9Pb5W3
_cod_original_cell_volume        1566.27
_cod_database_code               1529521
Structure Determination of LISICON Solid Solutions by Powder Neutron Diffraction
Abrahams, I.; West, A.R.; Bruce, P.G.; David, W.I.F.; Journal of Solid State Chemistry 75 (1988) 390–396; doi:

data_1529522
_publ_section_title
;
 Structure Determination of LISICON Solid Solutions by Powder Neutron
 Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              390
_journal_page_last               396
_journal_volume                  75
_journal_year                    1988
_chemical_formula_sum            'Ge Li3 O4 Zn0.5'
_chemical_name_systematic        'Li3 Zn.5 Ge O4'
_space_group_IT_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                   10.872
_cell_length_b                   6.2882
_cell_length_c                   5.1696
_cell_volume                     353.421
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Abrahams_JSSCBI_1988_1635.cif
_cod_data_source_block           Ge1Li3O4Zn0.5
_cod_original_cell_volume        353.4213
_cod_original_formula_sum        'Ge1 Li3 O4 Zn0.5'
_cod_database_code               1529522
Structure Determination of LISICON Solid Solutions by Powder Neutron Diffraction
Abrahams, I.; Bruce, P.G.; West, A.R.; David, W.I.F.; Journal of Solid State Chemistry 75 (1988) 390–396; doi:

data_1529523
_publ_section_title
;
 Structure Determination of LISICON Solid Solutions by Powder Neutron
 Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              390
_journal_page_last               396
_journal_volume                  75
_journal_year                    1988
_chemical_formula_sum            'Ge Li3.16 O4 Zn0.24'
_chemical_name_systematic        'Li3.5 Zn.25 Ge O4'
_space_group_IT_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                   10.8845
_cell_length_b                   6.2683
_cell_length_c                   5.1551
_cell_volume                     351.719
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Abrahams_JSSCBI_1988_1636.cif
_cod_data_source_block           Ge1Li3.16O4Zn0.24
_cod_original_cell_volume        351.7186
_cod_original_formula_sum        'Ge1 Li3.16 O4 Zn0.24'
_cod_database_code               1529523
Inclusion of H Cl and H2 O in the new tunnel type structure (N H4) Te F5 (H Cl).25 (H2 O).25
Abriel, W.; du Bois, A.; Materials Research Bulletin 21 (1986) 1503–1508; doi:

data_1529524
_publ_section_title
;
 Inclusion of H Cl and H2 O in the new tunnel type structure (N H4) Te F5
 (H Cl).25 (H2 O).25
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1503
_journal_page_last               1508
_journal_volume                  21
_journal_year                    1986
_chemical_formula_sum            'Cl0.25 F5 H4.75 N O0.25 Te'
_chemical_name_systematic        '(N H4) Te F5 (H Cl).25 (H2 O).25'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.741
_cell_length_b                   13.741
_cell_length_c                   6.0199
_cell_volume                     1136.648
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Abriel_MRBUAC_1986_1309.cif
_cod_data_source_block           H4.75Cl0.25F5N1O0.25Te1
_cod_original_formula_sum        'H4.75 Cl0.25 F5 N1 O0.25 Te1'
_cod_database_code               1529524