LMucko/crystallography-open-database huggingface dataset:
High-pressure structural behaviour of heulandite Sample: P = .0001 GPa (after compression)
Comodi, P.; Gatta, G. D.; Zanazzi, P. F.; European Journal of Mineralogy 13 (2001) 497–505; doi:10.1127/0935-1221/2001/0013-0497

data_9005482
_publ_section_title
;
 High-pressure structural behaviour of heulandite
 Sample: P = .0001 GPa (after compression)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              497
_journal_page_last               505
_journal_paper_doi               10.1127/0935-1221/2001/0013-0497
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435'
_chemical_name_mineral           Heulandite-Ca
_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                 116.38
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.774
_cell_length_b                   17.824
_cell_length_c                   7.438
_cell_volume                     2111.009
_database_code_amcsd             0006869
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.252
_cod_original_formula_sum
'Na.86 K.2 Ca1.325 Ba.015 Sr.435 (Al4.46 Si13.54) O49 H26'
_cod_database_code               9005482
Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results
Fuchs, Y.; Mellini, M.; Memmi, I.; European Journal of Mineralogy 13 (2001) 533–543; doi:10.1127/0935-1221/2001/0013-0533

data_9005483
_publ_section_title
;
 Crystal-chemistry of magnesiocarpholite: controversial X-ray
 diffraction, Mossbauer, FTIR and Raman results
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              533
_journal_page_last               543
_journal_paper_doi               10.1127/0935-1221/2001/0013-0533
_journal_volume                  13
_journal_year                    2001
_chemical_compound_source        'Monte Argentario'
_chemical_formula_sum
'Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4'
_chemical_name_mineral           Magnesiocarpholite
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.716
_cell_length_b                   20.084
_cell_length_c                   5.110
_cell_volume                     1407.663
_database_code_amcsd             0006870
_exptl_crystal_density_diffrn    2.933
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum
'K.004 (Mg1.3 Fe.7) Al3.94 Si4 O19.896 F.304 H7.896'
_cod_database_code               9005483
Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results
Fuchs, Y.; Mellini, M.; Memmi, I.; European Journal of Mineralogy 13 (2001) 533–543; doi:10.1127/0935-1221/2001/0013-0533

data_9005484
_publ_section_title
;
 Crystal-chemistry of magnesiocarpholite: controversial X-ray
 diffraction, Mossbauer, FTIR and Raman results
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              533
_journal_page_last               543
_journal_paper_doi               10.1127/0935-1221/2001/0013-0533
_journal_volume                  13
_journal_year                    2001
_chemical_compound_source        'Monte Leoni'
_chemical_formula_sum
'Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4'
_chemical_name_mineral           Magnesiocarpholite
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.726
_cell_length_b                   20.099
_cell_length_c                   5.112
_cell_volume                     1410.293
_database_code_amcsd             0006871
_exptl_crystal_density_diffrn    2.926
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum
'K.004 (Mg1.3 Fe.7) Al3.96 Si4 O19.92 F.24 H7.92'
_cod_database_code               9005484
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 20 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005485
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of
 phengite-2M_1: an in situ neutron diffraction and FTIR study
 Sample: T = 20 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.734
_cell_angle_gamma                90
_cell_length_a                   5.2173
_cell_length_b                   9.0493
_cell_length_c                   19.989
_cell_formula_units_Z            4
_cell_volume                     939.017
_database_code_amcsd             0006872
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    2.732
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005485
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 100 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005486
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 100 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.746
_cell_angle_gamma                90
_cell_length_a                   5.2196
_cell_length_b                   9.0550
_cell_length_c                   20.010
_cell_formula_units_Z            4
_cell_volume                     940.990
_database_code_amcsd             0006873
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    2.726
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005486
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 200 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005487
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 200 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.738
_cell_angle_gamma                90
_cell_length_a                   5.2230
_cell_length_b                   9.0618
_cell_length_c                   20.044
_cell_formula_units_Z            4
_cell_volume                     943.925
_database_code_amcsd             0006874
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.718
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005487
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 300 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005488
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T1 = 300 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.726
_cell_angle_gamma                90
_cell_length_a                   5.2276
_cell_length_b                   9.0701
_cell_length_c                   20.083
_cell_formula_units_Z            4
_cell_volume                     947.481
_database_code_amcsd             0006875
_exptl_crystal_density_diffrn    2.708
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005488
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 300 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005489
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T2 = 300 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.727
_cell_angle_gamma                90
_cell_length_a                   5.2279
_cell_length_b                   9.0745
_cell_length_c                   20.096
_cell_formula_units_Z            4
_cell_volume                     948.607
_database_code_amcsd             0006876
_exptl_crystal_density_diffrn    2.705
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005489
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 400 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005490
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T1 = 400 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.715
_cell_angle_gamma                90
_cell_length_a                   5.2321
_cell_length_b                   9.0784
_cell_length_c                   20.125
_cell_formula_units_Z            4
_cell_volume                     951.168
_database_code_amcsd             0006877
_exptl_crystal_density_diffrn    2.697
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005490
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 400 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005491
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T2 = 400 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.718
_cell_angle_gamma                90
_cell_length_a                   5.2324
_cell_length_b                   9.0787
_cell_length_c                   20.129
_cell_formula_units_Z            4
_cell_volume                     951.438
_database_code_amcsd             0006878
_exptl_crystal_density_diffrn    2.696
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005491
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 500 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005492
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T1 = 500 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.707
_cell_angle_gamma                90
_cell_length_a                   5.2360
_cell_length_b                   9.0862
_cell_length_c                   20.169
_cell_formula_units_Z            4
_cell_volume                     954.791
_database_code_amcsd             0006879
_exptl_crystal_density_diffrn    2.687
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005492
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 500 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005493
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T2 = 500 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.707
_cell_angle_gamma                90
_cell_length_a                   5.2356
_cell_length_b                   9.0893
_cell_length_c                   20.177
_cell_formula_units_Z            4
_cell_volume                     955.423
_database_code_amcsd             0006880
_exptl_crystal_density_diffrn    2.685
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005493
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 600 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005494
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 600 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.707
_cell_angle_gamma                90
_cell_length_a                   5.2356
_cell_length_b                   9.0893
_cell_length_c                   20.177
_cell_formula_units_Z            4
_cell_volume                     955.423
_database_code_amcsd             0006881
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    2.685
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005494
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 650 degrees C
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005495
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 650 degrees C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.690
_cell_angle_gamma                90
_cell_length_a                   5.2412
_cell_length_b                   9.0983
_cell_length_c                   20.242
_cell_formula_units_Z            4
_cell_volume                     960.504
_database_code_amcsd             0006882
_diffrn_ambient_temperature      923.15
_exptl_crystal_density_diffrn    2.671
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005495
Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 700 degrees C Note: y-coordinate altered
Mookherjee, M.; Redfern, S. A. T.; Zhang, M.; European Journal of Mineralogy 13 (2001) 545–555; doi:10.1127/0935-1221/2001/0013-0545

data_9005496
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 700 degrees C
 Note: y-coordinate altered
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              545
_journal_page_last               555
_journal_paper_doi               10.1127/0935-1221/2001/0013-0545
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum
'Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24'
_chemical_name_mineral           Phengite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.694
_cell_angle_gamma                90
_cell_length_a                   5.2328
_cell_length_b                   9.0948
_cell_length_c                   20.207
_cell_formula_units_Z            4
_cell_volume                     956.932
_database_code_amcsd             0006883
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    2.681
_cod_original_formula_sum
'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cod_database_code               9005496
The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD01
Merlino, S.; Bonaccorsi, E.; Armbruster, T.; European Journal of Mineralogy 13 (2001) 577–590; doi:10.1127/0935-1221/2001/0013-0577

data_9005497
_publ_section_title
;
 The real structure of tobermorite 11\%A: normal and anomalous forms,
 OD character and polytypic modifications
 Note: sample MD01
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              577
_journal_page_last               590
_journal_paper_doi               10.1127/0935-1221/2001/0013-0577
_journal_volume                  13
_journal_year                    2001
_chemical_compound_source        'Locality: Wessels mine, South Africa'
_chemical_formula_sum            'Ca2 H3 O11 Si3'
_chemical_name_mineral           Tobermorite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F -2d 2'
_symmetry_space_group_name_H-M   'F 2 d d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.265(2)
_cell_length_b                   7.386(1)
_cell_length_c                   44.970(9)
_cell_volume                     3741.652
_database_code_amcsd             0006884
_exptl_crystal_density_diffrn    2.439
_refine_ls_R_factor_gt           0.128
_cod_original_formula_sum        'Ca2 Si3 O11 H3'
_cod_database_code               9005497