LMucko/crystallography-open-database huggingface dataset:
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P1 Rietveld, 9.9% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004324
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P1 Rietveld, 9.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.278 Mg1.722 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7673
_cell_length_b                   10.249
_cell_formula_units_Z            4
_cell_length_c                   5.9996
_cell_volume                     293.141
_database_code_amcsd             0005397
_exptl_crystal_density_diffrn    3.387
_cod_original_formula_sum        'Si (Mg1.722 Fe.278) O4'
_cod_database_code               9004324
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P2 Rietveld, 19.9% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004325
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P2 Rietveld, 19.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.246 Mg1.754 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7659
_cell_length_b                   10.2414
_cell_formula_units_Z            4
_cell_length_c                   5.9983
_cell_volume                     292.774
_database_code_amcsd             0005398
_exptl_crystal_density_diffrn    3.368
_cod_original_formula_sum        'Si (Mg1.754 Fe.246) O4'
_cod_database_code               9004325
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P3 Rietveld, 30.6% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004326
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P3 Rietveld, 30.6%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.228 Mg1.772 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7654
_cell_length_b                   10.2396
_cell_formula_units_Z            4
_cell_length_c                   5.9984
_cell_volume                     292.697
_database_code_amcsd             0005399
_exptl_crystal_density_diffrn    3.356
_cod_original_formula_sum        'Si (Mg1.772 Fe.228) O4'
_cod_database_code               9004326
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P4 Rietveld, 39.7% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004327
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P4 Rietveld, 39.7%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.184 Mg1.816 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7652
_cell_length_b                   10.2388
_cell_formula_units_Z            4
_cell_length_c                   5.9992
_cell_volume                     292.701
_database_code_amcsd             0005400
_exptl_crystal_density_diffrn    3.324
_cod_original_formula_sum        'Si (Mg1.816 Fe.184) O4'
_cod_database_code               9004327
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P5 Rietveld, 49.9% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004328
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P5 Rietveld, 49.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.196 Mg1.804 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7651
_cell_length_b                   10.2385
_cell_formula_units_Z            4
_cell_length_c                   5.9983
_cell_volume                     292.642
_database_code_amcsd             0005401
_exptl_crystal_density_diffrn    3.334
_cod_original_formula_sum        'Si (Mg1.804 Fe.196) O4'
_cod_database_code               9004328
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P6 Rietveld, 59.9% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004329
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P6 Rietveld, 59.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7644
_cell_length_b                   10.2370
_cell_formula_units_Z            4
_cell_length_c                   5.9975
_cell_volume                     292.517
_database_code_amcsd             0005402
_exptl_crystal_density_diffrn    3.338
_cod_original_formula_sum        'Si (Mg1.8 Fe.2) O4'
_cod_database_code               9004329
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P7 Rietveld, 70.0% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004330
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P7 Rietveld, 70.0%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7649
_cell_length_b                   10.2370
_cell_formula_units_Z            4
_cell_length_c                   5.9980
_cell_volume                     292.572
_database_code_amcsd             0005403
_exptl_crystal_density_diffrn    3.337
_cod_original_formula_sum        'Si (Mg1.8 Fe.2) O4'
_cod_database_code               9004330
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P8 Rietveld, 79.9% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004331
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P8 Rietveld, 79.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.19 Mg1.81 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7659
_cell_length_b                   10.2396
_cell_formula_units_Z            4
_cell_length_c                   5.9993
_cell_volume                     292.771
_database_code_amcsd             0005404
_exptl_crystal_density_diffrn    3.328
_cod_original_formula_sum        'Si (Mg1.81 Fe.19) O4'
_cod_database_code               9004331
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P9 Rietveld, 89.6% olivine
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004332
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P9 Rietveld, 89.6%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.198 Mg1.802 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7660
_cell_length_b                   10.2379
_cell_formula_units_Z            4
_cell_length_c                   5.9992
_cell_volume                     292.724
_database_code_amcsd             0005405
_exptl_crystal_density_diffrn    3.334
_cod_original_formula_sum        'Si (Mg1.802 Fe.198) O4'
_cod_database_code               9004332
The structure and physicochemical characteristics of a synthetic phase compositionally intermediate between liebigite and andersonite
Vochten, R.; Haverbeke, L. V.; Springel, K. V.; The Canadian Mineralogist 32 (1994) 553–561; doi:

data_9004333
_publ_section_title
;
 The structure and physicochemical characteristics of a synthetic
 phase compositionally intermediate between liebigite and andersonite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              553
_journal_page_last               561
_journal_volume                  32
_journal_year                    1994
_chemical_formula_structural     Na3Ca6(UO2)4(CO3)12(H2O)17
_chemical_formula_sum            'C12 H34 Ca6 Na3 O61 U4'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.150
_cell_length_b                   16.866
_cell_length_c                   18.436
_cell_volume                     5643.590
_database_code_amcsd             0005406
_exptl_crystal_density_diffrn    2.843
_cod_original_formula_sum        'Na3 Ca6 U4 C12 O61 H34'
_cod_database_code               9004333
_amcsd_formula_title             Na3Ca6(UO2)4(CO3)12(H2O)17
Refinement of the structure of gagarinite-(Y), Nax(CaxREE2-x)F6
Hughes, J. M.; Drexler, J. W.; The Canadian Mineralogist 32 (1994) 563–565; doi:

data_9004334
_publ_section_title
;
 Refinement of the structure of gagarinite-(Y), Nax(CaxREE2-x)F6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              563
_journal_page_last               565
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum
;Ca0.475 Ce0.005 Dy0.05 Er0.02 F2.7 Gd0.045 Ho0.015 Na0.3 Nd0.005 Sm0.015
 Tb0.005 Y0.36 Yb0.005
;
_chemical_name_mineral           Gagarinite-(Y)
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.987
_cell_length_b                   5.987
_cell_length_c                   3.5413
_cell_formula_units_Z            2
_cell_volume                     109.929
_database_code_amcsd             0005407
_exptl_crystal_density_diffrn    4.096
_cod_original_formula_sum
;(Ca.475 Y.36 Dy.05 Gd.045 Er.02 Ho.015 Sm.015 Yb.005 Nd.005 Tb.005 Ce.005)
 Na.3 F2.7
;
_cod_database_code               9004334
A refinement of the structure of ferritungstite from Kalzas mountain, Yukon, and observations on the tungsten pyrochlores Locality: Kalzas mountain, Yukon, Canada
Ercit, T. S.; Robinson, G. W.; The Canadian Mineralogist 32 (1994) 567–574; doi:

data_9004335
_publ_section_title
;A refinement of the structure of ferritungstite from Kalzas mountain, Yukon,
 and observations on the tungsten pyrochlores Locality: Kalzas mountain,
 Yukon, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              567
_journal_page_last               574
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Kalzas mountain, Yukon, Canada'
_chemical_formula_sum            'Ca0.12 Fe0.54 H2.51 K0.2 Na0.04 O6.8 W1.46'
_chemical_name_mineral           Ferritungstite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.352
_cell_length_b                   10.352
_cell_length_c                   10.352
_cell_volume                     1109.361
_database_code_amcsd             0005408
_exptl_crystal_density_diffrn    5.071
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe.54 W1.46) Ca.12 Na.04 H2.51 O6.8 K.2'
_cod_database_code               9004335
Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont Saint-Hilaire, Quebec: description and structure determination
McDonald, A. M.; Chao, G. Y.; Grice, J. D.; The Canadian Mineralogist 32 (1994) 843–854; doi:

data_9004336
_publ_section_title
;
 Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont
 Saint-Hilaire, Quebec: description and structure determination
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               854
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C6 Ce3 La1.02 Na26 Nd1.98 O66 P6 S Si6'
_chemical_name_mineral           Abenakiite-(Ce)
_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                   16.020
_cell_length_b                   16.020
_cell_length_c                   19.920
_cell_formula_units_Z            3
_cell_volume                     4427.362
_database_code_amcsd             0005409
_exptl_crystal_density_diffrn    3.330
_cod_original_cell_volume        4427.361
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Si6 P6 Na26 (Ce3 Nd1.98 La1.02) C6 S O66'
_cod_database_code               9004336
Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec, and its crystal structure Locality: Mont Saint-Hilaire, Quebec, Canada
Ercit, T. S.; Van Velthuizen, J.; The Canadian Mineralogist 32 (1994) 855–863; doi:

data_9004337
_publ_section_title
;Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec,
 and its crystal structure Locality: Mont Saint-Hilaire, Quebec, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              855
_journal_page_last               863
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'H8 Na4 O24 Si7 Zn2'
_chemical_name_mineral           Gaultite
_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            8
_cell_length_a                   10.231
_cell_length_b                   39.91
_cell_length_c                   10.339
_cell_volume                     4221.612
_database_code_amcsd             0005410
_exptl_crystal_density_diffrn    2.553
_cod_original_formula_sum        'Zn2 Si7 Na4 O24 H8'
_cod_database_code               9004337
The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2
Wang, L.; Ni, Y.; Hughes, J. M.; Bayliss, P.; Drexler, J. W.; The Canadian Mineralogist 32 (1994) 865–871; doi:

data_9004338
_publ_section_title
;
 The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              865
_journal_page_last               871
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C2 Ca Ce F O6'
_chemical_name_mineral           Synchysite-(Ce)
_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                 102.68
_cell_angle_gamma                90
_cell_length_a                   12.329
_cell_length_b                   7.110
_cell_length_c                   18.741
_cell_formula_units_Z            12
_cell_volume                     1602.754
_database_code_amcsd             0005411
_exptl_crystal_density_diffrn    3.969
_cod_original_cell_volume        1602.755
_cod_original_formula_sum        'Ce Ca C2 O6 F'
_cod_database_code               9004338
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Fe-100
Giester, G.; Lengauer, C. L.; Redhammer, G. J.; The Canadian Mineralogist 32 (1994) 873–884; doi:

data_9004339
_publ_section_title
;
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Fe-100
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              873
_journal_page_last               884
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe H2 O5 S'
_chemical_name_mineral           Poitevinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.57
_cell_angle_beta                 107.57
_cell_angle_gamma                93.65
_cell_formula_units_Z            2
_cell_length_a                   5.177
_cell_length_b                   5.176
_cell_length_c                   7.608
_cell_volume                     182.581
_exptl_crystal_density_diffrn    3.091
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula
Water oxygens renamed so they are recognized as oxygens
                 miguel
;
_cod_original_formula_sum        'Fe S O5 H2'
_cod_database_code               9004339
_database_code_amcsd 0005412
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Cu-48,Fe-52
Giester, G.; Lengauer, C. L.; Redhammer, G. J.; The Canadian Mineralogist 32 (1994) 873–884; doi:

data_9004340
_publ_section_title
;
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Cu-48,Fe-52
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              873
_journal_page_last               884
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Cu0.48 Fe0.52 H2 O5 S'
_chemical_name_mineral           Poitevinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.06
_cell_angle_beta                 107.40
_cell_angle_gamma                92.73
_cell_formula_units_Z            2
_cell_length_a                   5.120
_cell_length_b                   5.160
_cell_length_c                   7.535
_cell_volume                     179.591
_database_code_amcsd             0005413
_exptl_crystal_density_diffrn    3.211
_cod_original_formula_sum        '(Cu.48 Fe.52) S O5 H2'
_cod_database_code               9004340