LMucko/crystallography-open-database huggingface dataset:
Structural investigations of ammonium vanadium diphosphates by X-ray powder diffraction
Trommer, J.; Worzala, H.; Rabe, S.; Schneider, M.; Journal of Solid State Chemistry 136 (1998) 181–192; doi:10.1006/jssc.1997.7673

data_6000625
_publ_section_title
;
 Structural investigations of ammonium vanadium diphosphates by X-ray
 powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               192
_journal_paper_doi               10.1006/jssc.1997.7673
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'H4 N O7 P2 V'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 105.988
_cell_angle_gamma                90.000
_cell_length_a                   7.5149
_cell_length_b                   10.0384
_cell_length_c                   8.2422
_cell_volume                     597.72
_cod_database_code               6000625
Structural investigations of ammonium vanadium diphosphates by X-ray powder diffraction
Trommer, J.; Worzala, H.; Rabe, S.; Schneider, M.; Journal of Solid State Chemistry 136 (1998) 181–192; doi:10.1006/jssc.1997.7673

data_6000626
_publ_section_title
;
 Structural investigations of ammonium vanadium diphosphates by X-ray
 powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               192
_journal_paper_doi               10.1006/jssc.1997.7673
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'H8 N2 O8 P2 V'
_space_group_name_H-M_alt        'P 4 b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.3039
_cell_length_b                   8.3039
_cell_length_c                   5.7658
_cell_volume                     397.58
_cod_database_code               6000626
Structural investigations of ammonium vanadium diphosphates by X-ray powder diffraction
Trommer, J.; Worzala, H.; Rabe, S.; Schneider, M.; Journal of Solid State Chemistry 136 (1998) 181–192; doi:10.1006/jssc.1997.7673

data_6000627
_publ_section_title
;
 Structural investigations of ammonium vanadium diphosphates by X-ray
 powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               192
_journal_paper_doi               10.1006/jssc.1997.7673
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'H8 N2 O17 P4 V3'
_space_group_name_H-M_alt        'P n a m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   17.4973
_cell_length_b                   11.3655
_cell_length_c                   7.2769
_cell_volume                     1447.12
_cod_database_code               6000627
Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
Eibenstein, U.; Jung, W.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 802–806; doi:10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A

data_6000628
_publ_section_title
;
 Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu,
 Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              802
_journal_page_last               806
_journal_paper_doi
10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'B8 Rh18 Zn11'
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   17.712(2)
_cell_length_b                   17.712(2)
_cell_length_c                   2.8640(4)
_cell_volume                     898.48
_diffrn_reflns_number            9390
_exptl_crystal_size_rad          0.05
_refine_ls_number_parameters     56
_cod_depositor_comments
;
  The X and Y coordinates of site Zn2 were apparently swapped in the
  original publication, resulting in disagreements between interatomic
  distances present in the structure and given in the original
  publication, as well as voids. The issue was fixed by swapping the
  coordinates back.

  Andrius Merkys
  2016-01-29
;
_cod_database_code               6000628
Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
Eibenstein, U.; Jung, W.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 802–806; doi:10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A

data_6000629
_publ_section_title
;
 Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu,
 Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              802
_journal_page_last               806
_journal_paper_doi
10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'B8 Ni Rh18 Zn10'
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   17.6765(9)
_cell_length_b                   17.6765(9)
_cell_length_c                   2.8596(3)
_cell_volume                     893.51
_diffrn_reflns_number            5221
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_ls_number_parameters     56
_cod_depositor_comments
;
  The X and Y coordinates of site Zn2 were apparently swapped in the
  original publication, resulting in disagreements between interatomic
  distances present in the structure and given in the original
  publication, as well as voids. The issue was fixed by swapping the
  coordinates back.

  Andrius Merkys
  2016-01-29
;
_cod_database_code               6000629
Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
Eibenstein, U.; Jung, W.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 802–806; doi:10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A

data_6000630
_publ_section_title
;
 Zn11Rh18B8 and Zn10MRh18B8 with m = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu,
 Al, Si, Ge, Sn - New ternary and quaternary zinc rhodium borides
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              802
_journal_page_last               806
_journal_paper_doi
10.1002/(SICI)1521-3749(199805)624:5<802::AID-ZAAC802>3.0.CO;2-A
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'B8 Rh18 Sn Zn10'
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   17.7404(9)
_cell_length_b                   17.7404(9)
_cell_length_c                   2.8679(2)
_cell_volume                     902.59
_diffrn_reflns_number            9972
_exptl_crystal_size_rad          0.048
_refine_ls_number_parameters     56
_cod_depositor_comments
;
  The X and Y coordinates of site Zn2 were apparently swapped in the
  original publication, resulting in disagreements between interatomic
  distances present in the structure and given in the original
  publication, as well as voids. The issue was fixed by swapping the
  coordinates back.

  Andrius Merkys
  2016-01-29
;
_cod_database_code               6000630
Crystallographic data of a new phase of dicalcium silicate
Miyazaki, M.; Yamazaki, S.; Sasaki, K.; Ishida, H.; Toraya, H.; Journal of The American Ceramic Society 81 (1998) 1339–1343; doi:10.1111/j.1151-2916.1998.tb02487.x

data_6000631
_publ_section_title
;
 Crystallographic data of a new phase of dicalcium silicate
;
_journal_name_full               'Journal of The American Ceramic Society'
_journal_page_first              1339
_journal_page_last               1343
_journal_paper_doi               10.1111/j.1151-2916.1998.tb02487.x
_journal_volume                  81
_journal_year                    1998
_chemical_formula_sum            'Ca2 O4 Si'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 94.642
_cell_angle_gamma                90.000
_cell_length_a                   8.2147
_cell_length_b                   9.8080
_cell_length_c                   9.7410
_cell_volume                     782.26
_cod_database_code               6000631
MgV2O5 and delta LixV2O5: a comparative structural investigation
Millet, P.; Satto, C.; Sciau, P.; Galy, J.; Journal of Solid State Chemistry 136 (1998) 56–62; doi:10.1006/jssc.1997.7654

data_6000632
_publ_section_title
;
 MgV2O5 and delta LixV2O5: a comparative structural investigation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              56
_journal_page_last               62
_journal_paper_doi               10.1006/jssc.1997.7654
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Mg O5 V2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.6913
_cell_length_b                   9.9710
_cell_length_c                   11.0173
_cell_volume                     405.50
_diffrn_ambient_temperature      294
_cod_database_code               6000632
MgV2O5 and delta LixV2O5: a comparative structural investigation
Millet, P.; Satto, C.; Sciau, P.; Galy, J.; Journal of Solid State Chemistry 136 (1998) 56–62; doi:10.1006/jssc.1997.7654

data_6000633
_publ_section_title
;
 MgV2O5 and delta LixV2O5: a comparative structural investigation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              56
_journal_page_last               62
_journal_paper_doi               10.1006/jssc.1997.7654
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Li O5 V2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.6047
_cell_length_b                   9.9157
_cell_length_c                   11.2479
_cell_volume                     402.04
_diffrn_ambient_temperature      294
_cod_database_code               6000633
MgV2O5 and delta LixV2O5: a comparative structural investigation
Millet, P.; Satto, C.; Sciau, P.; Galy, J.; Journal of Solid State Chemistry 136 (1998) 56–62; doi:10.1006/jssc.1997.7654

data_6000634
_publ_section_title
;
 MgV2O5 and delta LixV2O5: a comparative structural investigation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              56
_journal_page_last               62
_journal_paper_doi               10.1006/jssc.1997.7654
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Mg O5 V2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.6928
_cell_length_b                   9.9576
_cell_length_c                   11.0096
_cell_volume                     404.84
_diffrn_ambient_temperature      83
_cod_database_code               6000634
MgV2O5 and delta LixV2O5: a comparative structural investigation
Millet, P.; Satto, C.; Sciau, P.; Galy, J.; Journal of Solid State Chemistry 136 (1998) 56–62; doi:10.1006/jssc.1997.7654

data_6000635
_publ_section_title
;
 MgV2O5 and delta LixV2O5: a comparative structural investigation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              56
_journal_page_last               62
_journal_paper_doi               10.1006/jssc.1997.7654
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Li O5 V2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.6031
_cell_length_b                   9.8734
_cell_length_c                   11.2350
_cell_volume                     399.68
_diffrn_ambient_temperature      83
_cod_database_code               6000635
Commensurate and incommensurate phases in the system A(4)A ' Ir2O9 (A = Sr, Ba; a ' = Cu, Zn)
Battle, P. D.; Blake, G. R.; Sloan, J.; Vente, J. F.; Journal of Solid State Chemistry 136 (1998) 103–114; doi:10.1006/jssc.1997.7666

data_6000636
_publ_section_title
;
 Commensurate and incommensurate phases in the system A(4)A ' Ir2O9 (A =
 Sr, Ba; a ' = Cu, Zn)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              103
_journal_page_last               114
_journal_paper_doi               10.1006/jssc.1997.7666
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Cu Ir2 O9 Sr4'
_space_group_name_H-M_alt        'P 3 2 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.6854
_cell_length_b                   9.6854
_cell_length_c                   8.0473
_cell_volume                     653.75
_diffrn_ambient_temperature      4.5
_cod_database_code               6000636
Nd~4~Cu~2~O~7~: a Copper(I) Oxide with a Novel Cooperatively Distorted T' Type Structure
Pederzolli, D. R.; Attfield, J. P.; Journal of Solid State Chemistry 136 (1998) 137–140; doi:10.1006/jssc.1997.7667

data_6000637
_publ_section_title
;
 Nd~4~Cu~2~O~7~: a Copper(I) Oxide with a Novel Cooperatively Distorted T'
 Type Structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              137
_journal_page_last               140
_journal_paper_doi               10.1006/jssc.1997.7667
_journal_volume                  136
_journal_year                    1998
_chemical_formula_sum            'Cu2 Nd4 O7'
_space_group_name_H-M_alt        A2/m
_cell_angle_alpha                90.000
_cell_angle_beta                 109.576
_cell_angle_gamma                90.000
_cell_length_a                   8.4493
_cell_length_b                   3.7591
_cell_length_c                   12.6006
_cell_volume                     377.08
_cod_database_code               6000637
X-ray profile refinement study of the PrBa2Cu4O8 compound
Lee, T. J.; Chou, C. H.; Wan, C. Y.; Ku, H. C.; Huang, J. C.; Cheng, C. H.; Sheen, S. R.; Wu, M. K.; Chinese Journal of Physics 36 (1998) 336–343; doi:

data_6000638
_publ_section_title
;
 X-ray profile refinement study of the PrBa2Cu4O8 compound
;
_journal_name_full               'Chinese Journal of Physics'
_journal_page_first              336
_journal_page_last               343
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'Ba2 Cu4 O8 Pr'
_space_group_name_H-M_alt        'A m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.8901
_cell_length_b                   3.9041
_cell_length_c                   27.3219
_cell_volume                     414.95
_cod_database_code               6000638
Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification
Pfitzner, A.; Zeitschrift für Kristallographie 213 (1998) 228–236; doi:10.1524/zkri.1998.213.4.228

data_6000639
_publ_section_title
;
 Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and
 low-temperature modification
;
_journal_issue                   4
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              228
_journal_page_last               236
_journal_paper_doi               10.1524/zkri.1998.213.4.228
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'Cu3 S3 Sb'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.8080
_cell_length_b                   10.2520
_cell_length_c                   6.5870
_cell_volume                     527.27
_diffrn_ambient_temperature      493
_cod_database_code               6000639
Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification
Pfitzner, A.; Zeitschrift für Kristallographie 213 (1998) 228–236; doi:10.1524/zkri.1998.213.4.228

data_6000640
_publ_section_title
;
 Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and
 low-temperature modification
;
_journal_issue                   4
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              228
_journal_page_last               236
_journal_paper_doi               10.1524/zkri.1998.213.4.228
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'Cu3 S3 Sb'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.8840
_cell_length_b                   10.2210
_cell_length_c                   6.6240
_cell_volume                     533.78
_diffrn_ambient_temperature      223
_cod_database_code               6000640
Neutron powder diffraction study of the low-temperature phases of KNO2
Onoda-Yamamuro, N.; Honda, H.; Ikeda, R.; Yamamuro, O.; Matsuo, T.; Oikawa, K.; Kamiyama, T.; Izumi, F.; Journal of Physics: Condensed Matter 10 (1998) 3341–3351; doi:10.1088/0953-8984/10/15/011

data_6000641
_publ_section_title
;
 Neutron powder diffraction study of the low-temperature phases of KNO2
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              3341
_journal_page_last               3351
_journal_paper_doi               10.1088/0953-8984/10/15/011
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'K N O2'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.274
_cell_angle_gamma                90.000
_cell_length_a                   4.4010
_cell_length_b                   9.5967
_cell_length_c                   6.9817
_cell_volume                     280.00
_diffrn_ambient_temperature      4
_cod_database_code               6000641
A triclinic superlattice structure for the bended sphalerite unit cell of the compound Cu2GeSe3
Omar, M. S.; Arab Gulf Journal of Scientific Research 15 (1998) 353–359; doi:

data_6000642
_publ_section_title
;
 A triclinic superlattice structure for the bended sphalerite unit cell of
 the compound Cu2GeSe3
;
_journal_name_full               'Arab Gulf Journal of Scientific Research'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  15
_journal_year                    1998
_chemical_formula_sum            'Cu2 Ge Se3'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                90.039
_cell_angle_beta                 89.592
_cell_angle_gamma                89.945
_cell_length_a                   3.9381
_cell_length_b                   22.3796
_cell_length_c                   11.5626
_cell_volume                     1019.02
_cod_database_code               6000642
Phosphorus(V) nitride alpha-P3N5: Synthesis starting from tetraaminophosphonium iodide and crystal structure determination by synchrotron powder diffraction
Horstmann, S.; Irran, E.; Schnick, W.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 620–628; doi:10.1002/(SICI)1521-3749(199804)624:4<620::AID-ZAAC620>3.0.CO;2-K

data_6000643
_publ_section_title
;
 Phosphorus(V) nitride alpha-P3N5: Synthesis starting from
 tetraaminophosphonium iodide and crystal structure determination by
 synchrotron powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi
10.1002/(SICI)1521-3749(199804)624:4<620::AID-ZAAC620>3.0.CO;2-K
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'N5 P3'
_chemical_formula_weight         163.0
_chemical_temperature_decomposition_gt 1073.15
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 115.809(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.12077(4)
_cell_length_b                   5.83433(4)
_cell_length_c                   9.16005(5)
_cell_volume                     390.71
_diffrn_radiation_wavelength     0.99963(4)
_diffrn_reflns_number            699
_exptl_absorpt_coefficient_mu    5.283
_exptl_crystal_F_000             320
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               6000643
Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4
Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A.; Journal of Materials Chemistry 8 (1998) 969–975; doi:10.1039/a707130b

data_6000644
_publ_section_title
;
 Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              969
_journal_page_last               975
_journal_paper_doi               10.1039/a707130b
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'As Li O4 Zn'
_space_group_name_H-M_alt        'R 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.0090
_cell_length_b                   14.0090
_cell_length_c                   9.3860
_cell_volume                     1595.24
_cod_database_code               6000644