LMucko/crystallography-open-database huggingface dataset:
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300147
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.07207(6)
_cell_length_b                   4.07207(6)
_cell_length_c                   4.07207(6)
_cell_volume                     67.5221(17)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           BZN_Pm3m_60
_cod_original_cell_volume        67.522(3)
_cod_database_code               2300147
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300148
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.74601(9)
_cell_length_b                   5.74601(9)
_cell_length_c                   7.06047(17)
_cell_volume                     201.882(7)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_P-3m_240
_cod_original_cell_volume        201.882(8)
_cod_database_code               2300148
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300149
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.7620(6)
_cell_length_b                   5.7620(6)
_cell_length_c                   7.0764(9)
_cell_volume                     203.46(4)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_P-3m_2
_cod_original_cell_volume        203.47(5)
_cod_database_code               2300149
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300150
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.7645(11)
_cell_length_b                   5.7645(11)
_cell_length_c                   7.0920(18)
_cell_volume                     204.09(8)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_P-3m_72
_cod_original_cell_volume        204.09(10)
_cod_database_code               2300150
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300151
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.06541(4)
_cell_length_b                   4.06541(4)
_cell_length_c                   4.06541(4)
_cell_volume                     67.1913(11)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_Pm3m_240
_cod_original_cell_volume        67.191(2)
_cod_database_code               2300151
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300152
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.06857(10)
_cell_length_b                   4.06857(10)
_cell_length_c                   4.06857(10)
_cell_volume                     67.348(3)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_Pm3m_2
_cod_original_cell_volume        67.348(5)
_cod_database_code               2300152
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300153
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.07191(9)
_cell_length_b                   4.07191(9)
_cell_length_c                   4.07191(9)
_cell_volume                     67.514(4)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BNN_Pm3m_72
_cod_database_code               2300153
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300154
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.7654(10)
_cell_length_b                   5.7654(10)
_cell_length_c                   7.0910(16)
_cell_volume                     204.13(7)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_P-3m_240
_cod_original_cell_volume        204.13(9)
_cod_database_code               2300154
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300155
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.74666(5)
_cell_length_b                   5.74666(5)
_cell_length_c                   7.05943(8)
_cell_volume                     201.898(3)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_P-3m_2
_cod_original_cell_volume        201.898(4)
_cod_database_code               2300155
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300156
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.74620(6)
_cell_length_b                   5.74620(6)
_cell_length_c                   7.05894(9)
_cell_volume                     201.851(4)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_P-3m_72
_cod_original_cell_volume        201.851(5)
_cod_database_code               2300156
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300157
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.07045(9)
_cell_length_b                   4.07045(9)
_cell_length_c                   4.07045(9)
_cell_volume                     67.442(5)
_cod_duplicate_entry             2300143
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_Pm3m_240
_cod_database_code               2300157
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300158
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.06839634
_cell_length_b                   4.06839634
_cell_length_c                   4.06839634
_cell_volume                     67.339
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_Pm3m_2
_cod_original_cell_volume        67.33948
_cod_database_code               2300158
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300159
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.06600(5)
_cell_length_b                   4.06600(5)
_cell_length_c                   4.06600(5)
_cell_volume                     67.2206(14)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           mix_0.35_BZN_Pm3m_72
_cod_original_cell_volume        67.221(3)
_cod_database_code               2300159
A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~
Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.; Journal of Applied Crystallography 40 (2007) 749–755; doi:10.1107/S0021889807028051

data_2300160
_publ_section_title
;
 A synchrotron X-ray study of structural ordering in~the microwave
 dielectric ceramic system:
 Ba(Ni~1/3~Nb~2/3~)O~3~--Ba(Zn~1/3~Nb~2/3~)O~3~
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              749
_journal_page_last               755
_journal_paper_doi               10.1107/S0021889807028051
_journal_volume                  40
_journal_year                    2007
_space_group_IT_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_length_a                   5.7981(6)
_cell_length_b                   5.7981(6)
_cell_length_c                   11.7947(12)
_cell_volume                     343.39(6)
_cod_data_source_file            hx5056.cif
_cod_data_source_block           surface_5-4-15_phase
_cod_original_cell_volume        343.38(8)
_cod_database_code               2300160
Structural characterization of the clay mineral illite-1M
Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon; Journal of Applied Crystallography 41 (2008) 402–415; doi:10.1107/S0021889808004202

data_2300189
_publ_section_title
;
 Structural characterization of the clay mineral illite-1M
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              402
_journal_page_last               415
_journal_paper_doi               10.1107/S0021889808004202
_journal_volume                  41
_journal_year                    2008
_chemical_formula_sum
'Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.11
_cell_angle_gamma                90
_cell_length_a                   5.189
_cell_length_b                   8.953
_cell_length_c                   10.129
_cell_volume                     461.796
_cod_data_source_file            db5033.cif
_cod_data_source_block           GSAS
_cod_depositor_comments
;
The original entry contained the following two atoms:

M 0.00000 0.32980 0.50000 1.00000
T 0.07200 0.16300 0.23050 1.00000

Their atom label and occupancy was changed to:
Al1 0.00000 0.32980 0.50000 0.66
Mg1 0.00000 0.32980 0.50000 0.34
Si1 0.07200 0.16300 0.23050 0.83
Al2 0.07200 0.16300 0.23050 0.17

Luca Lutterotti  3/5/2013
;
_cod_original_formula_sum
'K0.78 Ca0.02 Na0.02 Mg0.34 Al2.34 Fe0.02 Si3.35 O10 (OH)2 H2On'
_cod_database_code               2300189
Structural characterization of the clay mineral illite-1M
Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon; Journal of Applied Crystallography 41 (2008) 402–415; doi:10.1107/S0021889808004202

data_2300190
_publ_section_title
;
 Structural characterization of the clay mineral illite-1M
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              402
_journal_page_last               415
_journal_paper_doi               10.1107/S0021889808004202
_journal_volume                  41
_journal_year                    2008
_chemical_formula_sum
'Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.97
_cell_angle_gamma                90
_cell_length_a                   5.197
_cell_length_b                   8.961
_cell_length_c                   10.159
_cell_volume                     464.500
_cod_data_source_file            db5033.cif
_cod_data_source_block           TOPAS
_cod_depositor_comments
;
The original entry contained the following atoms:

M 0.00000 0.33600 0.50000 1.00000
T 0.07100 0.16800 0.23410 1.00000
.....
O1 0.16000 0.00000 0.14700 1.00000

Their atom label, occupancy and positions was changed to:
Al1 0.00000 0.33600 0.50000 0.66
Mg1 0.00000 0.33600 0.50000 0.34
Si1 0.07100 0.16800 0.23410 0.83
Al2 0.07100 0.16800 0.23410 0.17
....
O1 0.01600 0.00000 0.14700 1.00000

Luca Lutterotti  3/5/2013
;
_cod_original_formula_sum
'K0.78 Ca0.02 Na0.02 Mg0.34 Al2.34 Fe0.02 Si3.35 O10 (OH)2 H2On'
_cod_database_code               2300190
Structural characterization of the clay mineral illite-1M
Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon; Journal of Applied Crystallography 41 (2008) 402–415; doi:10.1107/S0021889808004202

data_2300191
_publ_section_title
;
 Structural characterization of the clay mineral illite-1M
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              402
_journal_page_last               415
_journal_paper_doi               10.1107/S0021889808004202
_journal_volume                  41
_journal_year                    2008
_chemical_formula_sum
'Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.95
_cell_angle_gamma                90
_cell_length_a                   5.1977
_cell_length_b                   9.014
_cell_length_c                   9.990
_cell_volume                     459.500
_cod_data_source_file            db5033.cif
_cod_data_source_block           TOPASSH
_cod_depositor_comments
;
The original entry contained the following atoms:

M 0.00000 0.32710 0.50000 1.00000
T 0.08330 0.16800 0.23670 1.00000

Their atom label, occupancy and positions was changed to:
Al1 0.00000 0.32710 0.50000 0.66
Mg1 0.00000 0.32710 0.50000 0.34
Si1 0.08330 0.16800 0.23670 0.83
Al2 0.08330 0.16800 0.23670 0.17

Luca Lutterotti  3/5/2013
;
_cod_original_formula_sum
'K0.78 Ca0.02 Na0.02 Mg0.34 Al2.34 Fe0.02 Si3.35 O10 (OH)2 H2On'
_cod_database_code               2300191