LMucko/crystallography-open-database huggingface dataset:
Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction Rietveld study using synchrotron radiation Sample: SN1
Artioli, G.; Pavese, A.; Bellotto, M.; Collins, S. P.; Lucchetti, G.; American Mineralogist 81 (1996) 603–610; doi:

data_9001737
_publ_section_title
;Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction
 Rietveld study using synchrotron radiation Sample: SN1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              603
_journal_page_last               610
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al1.97 Ca2 H4 Mg0.178 Mn0.852 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Mn2+)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.969
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8510
_cell_length_b                   5.9345
_cell_length_c                   19.1247
_cell_volume                     997.127
_database_code_amcsd             0001793
_exptl_crystal_density_diffrn    3.309
_cod_original_formula_sum        'Si3 Mg.178 Al1.97 Mn.852 Ca2 O14 H4'
_cod_database_code               9001737
Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction Rietveld study using synchrotron radiation Sample: SN5
Artioli, G.; Pavese, A.; Bellotto, M.; Collins, S. P.; Lucchetti, G.; American Mineralogist 81 (1996) 603–610; doi:

data_9001738
_publ_section_title
;Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction
 Rietveld study using synchrotron radiation Sample: SN5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              603
_journal_page_last               610
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2.236 Ca2 H4 Mg0.29 Mn0.474 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Mn2+)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.154
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8330
_cell_length_b                   5.9153
_cell_length_c                   19.1009
_cell_volume                     990.249
_database_code_amcsd             0001794
_exptl_crystal_density_diffrn    3.259
_cod_original_cell_volume        990.250
_cod_original_formula_sum        'Si3 Mg.29 Al2.236 Mn.474 Ca2 O14 H4'
_cod_database_code               9001738
Mechanism of the SiO4 for CO3 substitution in defernite, Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray study at 100 K
Armbruster, T.; Yang, P.; Liebich, B. W.; American Mineralogist 81 (1996) 625–631; doi:

data_9001739
_publ_section_title
;Mechanism of the SiO4 for CO3 substitution in defernite,
 Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray
 study at 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              625
_journal_page_last               631
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'C1.58 H7 Ca6 Cl0.498 O14.679 Si0.84'
_chemical_name_mineral           Defernite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.744
_cell_length_b                   22.601
_cell_length_c                   3.633
_cell_volume                     1456.950
_database_code_amcsd             0001795
_exptl_crystal_density_diffrn    2.474
_cod_original_formula_sum        'Ca6 C1.58 O14.679 Si.84 Cl.498 H7'
_cod_database_code               9001739
Structure refinement of a natural K-rich diopside: The effect of K on the average structure
Harlow, G. E.; American Mineralogist 81 (1996) 632–638; doi:

data_9001740
_publ_section_title
;
 Structure refinement of a natural K-rich diopside: The effect of K on the
 average structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              632
_journal_page_last               638
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
'Al0.029 Ca0.798 Cr0.071 Fe0.059 K0.073 Mg0.955 Na0.023 O6 Si1.992'
_chemical_name_mineral           Diopside
_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                 106.056
_cell_angle_gamma                90
_cell_length_a                   9.7476
_cell_length_b                   8.9478
_cell_length_c                   5.2622
_cell_formula_units_Z            4
_cell_volume                     441.063
_database_code_amcsd             0001796
_exptl_crystal_density_diffrn    3.287
_cod_original_formula_sum
'Mg.955 Fe.059 Al.029 Cr.071 Ca.798 K.073 Na.023 Si1.992 O6'
_cod_database_code               9001740
Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: AND-517 Note: Mineral name changed from androsite-(La)
Bonazzi, P.; Menchetti, S.; Reinecke, T.; American Mineralogist 81 (1996) 735–742; doi:

data_9001741
_publ_section_title
;
 Solid solution between piemontite and androsite-(La), a new mineral of the
 epidote group from Andros Island, Greece
 Sample: AND-517
 Note: Mineral name changed from androsite-(La)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              735
_journal_page_last               742
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
'Al Ca0.64 Ce0.25 Cu0.01 Fe0.1 H La0.25 Mn2.49 Nd0.17 O13 Pr0.05 Si3 Sr0.04'
_chemical_name_mineral           Manganiandrosite-(La)
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.88
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.896
_cell_length_b                   5.706
_cell_length_c                   10.083
_cell_volume                     468.005
_database_code_amcsd             0001797
_exptl_crystal_density_diffrn    4.213
_cod_original_formula_sum
'Mn2.49 Ca.64 La.25 Ce.25 Pr.05 Nd.17 Sr.04 Si3 Al Fe.1 Cu.01 H O13'
_cod_database_code               9001741
Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: VA-1a
Bonazzi, P.; Menchetti, S.; Reinecke, T.; American Mineralogist 81 (1996) 735–742; doi:

data_9001742
_publ_section_title
;
 Solid solution between piemontite and androsite-(La), a new mineral of the
 epidote group from Andros Island, Greece
 Sample: VA-1a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              735
_journal_page_last               742
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
;Al1.71 Ca0.96 Ce0.23 Cu0.13 Fe0.4 Gd0.01 H La0.11 Mg0.16 Mn0.93 Nd0.1 O13
 Pr0.03 Si3 Sm0.02 Sr0.19 Th0.02
;
_chemical_name_mineral           Piemontite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.890
_cell_length_b                   5.690
_cell_length_c                   10.135
_cell_volume                     466.732
_database_code_amcsd             0001798
_exptl_crystal_density_diffrn    3.953
_cod_original_formula_sum
;Ca.96 Mn.93 Th.02 Sr.19 La.11 Ce.23 Pr.03 Nd.1 Sm.02 Gd.01 Si3 Fe.4 Al1.71
 Mg.16 Cu.13 H O13
;
_cod_database_code               9001742
Hyttsjoite, a new, complex layered plumbosilicate with unique tetrahedral sheets from Langban, Sweden Note: U(1,2) for Ca3 and Fe changed to match symmetry constraints.
Grew, E. S.; Peacor, D. R.; Rouse, R. C.; Yates, M. G.; Su, S.-C.; Marquez, N.; American Mineralogist 81 (1996) 743–753; doi:

data_9001743
_publ_section_title
;Hyttsjoite, a new, complex layered plumbosilicate with unique tetrahedral
 sheets from Langban, Sweden Note: U(1,2) for Ca3 and Fe changed to match
 symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              743
_journal_page_last               753
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ba2 Ca5 Cl Fe2 Mn2 O96 Pb18 Si30'
_chemical_name_mineral           Hyttsjoite
_space_group_IT_number           148
_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_length_a                   9.865
_cell_length_b                   9.865
_cell_length_c                   79.45
_cell_formula_units_Z            3
_cell_volume                     6696.050
_database_code_amcsd             0001799
_exptl_crystal_density_diffrn    5.089
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb18 Ba2 Ca5 Fe2 Mn2 Si30 Cl O96'
_cod_database_code               9001743
Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 23 C
Comodi, P.; Zanazzi, P. F.; American Mineralogist 81 (1996) 833–841; doi:

data_9001744
_publ_section_title
;
 Effects of temperature and pressure on the structure of lawsonite
 P = 0.001 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               841
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2 Ca H4 O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.797
_cell_length_b                   5.852
_cell_length_c                   13.126
_cell_volume                     675.727
_database_code_amcsd             0001800
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.089
_cod_original_formula_sum        'Ca Al2 Si2 O10 H4'
_cod_database_code               9001744
Effects of temperature and pressure on the structure of lawsonite P = 0.5 kbar, T = 23 C
Comodi, P.; Zanazzi, P. F.; American Mineralogist 81 (1996) 833–841; doi:

data_9001745
_publ_section_title
;
 Effects of temperature and pressure on the structure of lawsonite
 P = 0.5 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               841
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2 Ca O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.789
_cell_length_b                   5.843
_cell_length_c                   13.127
_cell_formula_units_Z            4
_cell_volume                     674.126
_database_code_amcsd             0001801
_diffrn_ambient_pressure         50000
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.056
_cod_original_formula_sum        'Ca Al2 Si2 O10'
_cod_database_code               9001745
Effects of temperature and pressure on the structure of lawsonite P = 28.7 kbar, T = 23 C
Comodi, P.; Zanazzi, P. F.; American Mineralogist 81 (1996) 833–841; doi:

data_9001746
_publ_section_title
;
 Effects of temperature and pressure on the structure of lawsonite
 P = 28.7 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               841
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2 Ca O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.717
_cell_length_b                   5.805
_cell_length_c                   13.036
_cell_formula_units_Z            4
_cell_volume                     659.650
_database_code_amcsd             0001802
_diffrn_ambient_pressure         2.87e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.124
_cod_original_formula_sum        'Ca Al2 Si2 O10'
_cod_database_code               9001746
Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 444 C
Comodi, P.; Zanazzi, P. F.; American Mineralogist 81 (1996) 833–841; doi:

data_9001747
_publ_section_title
;
 Effects of temperature and pressure on the structure of lawsonite
 P = 0.001 kbar, T = 444 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               841
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2 Ca O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.852
_cell_length_b                   5.882
_cell_length_c                   13.194
_cell_formula_units_Z            4
_cell_volume                     686.978
_database_code_amcsd             0001803
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      717.15
_exptl_crystal_density_diffrn    2.999
_cod_original_formula_sum        'Ca Al2 Si2 O10'
_cod_database_code               9001747
Effects of temperature and pressure on the structure of lawsonite P = 0.001 kbar, T = 538 C
Comodi, P.; Zanazzi, P. F.; American Mineralogist 81 (1996) 833–841; doi:

data_9001748
_publ_section_title
;
 Effects of temperature and pressure on the structure of lawsonite
 P = 0.001 kbar, T = 538 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               841
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Al2 Ca O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.860
_cell_length_b                   5.888
_cell_length_c                   13.201
_cell_formula_units_Z            4
_cell_volume                     688.666
_database_code_amcsd             0001804
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      811.15
_exptl_crystal_density_diffrn    2.992
_cod_original_formula_sum        'Ca Al2 Si2 O10'
_cod_database_code               9001748
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.13, natural
Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.; American Mineralogist 81 (1996) 842–846; doi:

data_9001749
_publ_section_title
;Orthopyroxene from the Serra de Mage meteorite: A structure-refinement
 procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx
 SDM N.13, natural
;
_journal_name_full               'American Mineralogist'
_journal_page_first              842
_journal_page_last               846
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
'Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005'
_chemical_name_mineral           Orthopyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.316
_cell_length_b                   8.907
_cell_length_c                   5.218
_cell_formula_units_Z            8
_cell_volume                     851.268
_database_code_amcsd             0001805
_exptl_crystal_density_diffrn    3.555
_cod_original_formula_sum
'Si1.986 Al.028 O6 Mg1.134 Fe.795 Mn.026 Cr.004 Ti.005 Ca.036'
_cod_database_code               9001749
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated
Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.; American Mineralogist 81 (1996) 842–846; doi:

data_9001750
_publ_section_title
;
 Orthopyroxene from the Serra de Mage meteorite: A structure-refinement
 procedure for a Pbca phase coexisting with a C2/c exsolved phase
 Sample Opx SDM N.7, heated
;
_journal_name_full               'American Mineralogist'
_journal_page_first              842
_journal_page_last               846
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
'Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005'
_chemical_name_mineral           Orthopyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.320
_cell_length_b                   8.917
_cell_length_c                   5.219
_cell_formula_units_Z            8
_cell_volume                     852.573
_database_code_amcsd             0001806
_exptl_crystal_density_diffrn    3.553
_cod_original_formula_sum
'Si1.986 Al.028 O6 Mg1.128 Fe.801 Mn.026 Cr.004 Ti.005 Ca.036'
_cod_database_code               9001750
Thermal expansion of gypsum investigated by neutron powder diffraction T = 4.2 K
Schofield, P. F.; Knight, K. S.; Stretton, I. C.; American Mineralogist 81 (1996) 847–851; doi:

data_9001751
_publ_section_title
;
 Thermal expansion of gypsum investigated by neutron powder diffraction
 T = 4.2 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              847
_journal_page_last               851
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ca D4 O6 S'
_chemical_name_mineral           'Gypsum (deuterated)'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.513
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6740
_cell_length_b                   15.1049
_cell_length_c                   6.4909
_cell_volume                     488.829
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    2.394
_cod_original_formula_sum        'Ca S O6 D4'
_cod_database_code               9001751
Thermal expansion of gypsum investigated by neutron powder diffraction T = 150 K
Schofield, P. F.; Knight, K. S.; Stretton, I. C.; American Mineralogist 81 (1996) 847–851; doi:

data_9001752
_publ_section_title
;
 Thermal expansion of gypsum investigated by neutron powder diffraction
 T = 150 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              847
_journal_page_last               851
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ca D4 O6 S'
_chemical_name_mineral           'Gypsum (deuterated)'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.495
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6742
_cell_length_b                   15.1236
_cell_length_c                   6.5018
_cell_volume                     490.357
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    2.387
_cod_original_formula_sum        'Ca S O6 D4'
_cod_database_code               9001752
Thermal expansion of gypsum investigated by neutron powder diffraction T = 320 K
Schofield, P. F.; Knight, K. S.; Stretton, I. C.; American Mineralogist 81 (1996) 847–851; doi:

data_9001753
_publ_section_title
;
 Thermal expansion of gypsum investigated by neutron powder diffraction
 T = 320 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              847
_journal_page_last               851
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ca D4 O6 S'
_chemical_name_mineral           'Gypsum (deuterated)'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.494
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6769
_cell_length_b                   15.2074
_cell_length_c                   6.5277
_cell_volume                     495.279
_diffrn_ambient_temperature      320
_exptl_crystal_density_diffrn    2.363
_cod_original_formula_sum        'Ca S O6 D4'
_cod_database_code               9001753
Crystal chemistry and petrologic significance of Fe3±rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tas27-2Ba
Brigatti, M. F.; Medici, L.; Saccani, E.; Vaccaro, C.; American Mineralogist 81 (1996) 913–927; doi:

data_9001754
_publ_section_title
;
 Crystal chemistry and petrologic significance of Fe3+-rich phlogopite from
 the Tapira carbonatite complex, Brazil
 Sample: Tas27-2Ba
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               927
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum
'Al1.08 Ba0.01 F0.04 Fe0.35 H1.8 K0.96 Mg2.67 Na0.03 O11.96 Si2.84 Ti0.06'
_chemical_name_mineral           Phlogopite
_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                 100.01
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.318
_cell_length_b                   9.214
_cell_length_c                   10.279
_cell_volume                     496.004
_database_code_amcsd             0001810
_exptl_crystal_density_diffrn    2.877
_cod_original_formula_sum
'Si2.84 Al1.08 Fe.35 Ti.06 Mg2.67 (K.96 Ba.01 Na.03) O11.96 F.04 H1.8'
_cod_database_code               9001754