LMucko/crystallography-open-database huggingface dataset:
Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: CaSc100
Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.; American Mineralogist 91 (2006) 1240–1248; doi:10.2138/am.2006.2038

data_9010068
_publ_section_title
;
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: CaSc100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1240
_journal_page_last               1248
_journal_paper_doi               10.2138/am.2006.2038
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca3Sc2Si3O12
_chemical_formula_sum            'Ca3 O12 Sc2 Si3'
_chemical_name_mineral           Eringaite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.2500
_cell_formula_units_Z            8
_cell_length_b                   12.2500
_cell_length_c                   12.2500
_cell_volume                     1838.266
_database_code_amcsd             0004189
_exptl_crystal_density_diffrn    3.515
_cod_original_formula_sum        'Ca3 Sc2 Si3 O12'
_cod_database_code               9010068
The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Rapid Creek, Yukon, Canada
Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.; American Mineralogist 91 (2006) 1249–1259; doi:10.2138/am.2006.2189

data_9010069
_publ_section_title
;
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Rapid Creek, Yukon, Canada
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1249
_journal_page_last               1259
_journal_paper_doi               10.2138/am.2006.2189
_journal_volume                  91
_journal_year                    2006
_chemical_formula_sum
'Al Ca0.91 F0.03 Fe9.18 H2.97 K0.83 Mg2.8 Mn1.02 Na5.01 O50 P12 Sr0.01'
_chemical_name_mineral           Arrojadite-(KNa)
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.509
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.5520
_cell_length_b                   10.0529
_cell_length_c                   24.6477
_cell_volume                     3932.194
_database_code_amcsd             0004190
_exptl_crystal_density_diffrn    3.418
_cod_original_cell_volume        3932.195
_cod_original_formula_sum
'K.83 Na5.01 Ca.91 Sr.01 Fe9.18 Mn1.02 Mg2.8 Al P12 O50 F.03 H2.97'
_cod_database_code               9010069
The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Horrsjoberg, Varmland, Sweden
Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.; American Mineralogist 91 (2006) 1249–1259; doi:10.2138/am.2006.2189

data_9010070
_publ_section_title
;
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Horrsjoberg, Varmland, Sweden
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1249
_journal_page_last               1259
_journal_paper_doi               10.2138/am.2006.2189
_journal_volume                  91
_journal_year                    2006
_chemical_formula_sum
;Al Ba0.2 Ca0.59 F0.9 Fe6.61 H2.1 K0.03 Mg3.6 Mn3.39 Na2.94 O49.1 P12 Pb0.03
 Sr0.93
;
_chemical_name_mineral           Arrojadite-(SrFe)
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.489
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.3992
_cell_length_b                   9.9400
_cell_length_c                   24.4434
_cell_volume                     3839.762
_database_code_amcsd             0004191
_exptl_crystal_density_diffrn    3.553
_cod_original_formula_sum
'Na2.94 K.03 Ca.59 Ba.2 Pb.03 Sr.93 Fe6.61 Mn3.39 Mg3.6 Al P12 O49.1 F.9 H2.1'
_cod_database_code               9010070
The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Branchville, Connecticut, USA
Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.; American Mineralogist 91 (2006) 1249–1259; doi:10.2138/am.2006.2189

data_9010071
_publ_section_title
;
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Branchville, Connecticut, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1249
_journal_page_last               1259
_journal_paper_doi               10.2138/am.2006.2189
_journal_volume                  91
_journal_year                    2006
_chemical_formula_sum
;Al Ba0.01 Ca0.51 F0.03 Fe3.8 H1.97 K0.5 Li0.3 Mn9.7 Na4.92 O50 P12 Pb0.01
 Sr0.05
;
_chemical_name_mineral           Dickinsonite-(KMnNa)
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.616
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.6900
_cell_length_b                   10.1013
_cell_length_c                   24.8752
_cell_volume                     4038.926
_database_code_amcsd             0004192
_exptl_crystal_density_diffrn    3.468
_cod_original_cell_volume        4038.927
_cod_original_formula_sum
'K.5 Na4.92 Ca.51 Sr.05 Pb.01 Ba.01 Mn9.7 Fe3.8 Li.3 Al P12 O50 F.03 H1.97'
_cod_database_code               9010071
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010072
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Hd21, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.775
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8450
_cell_length_b                   9.0293
_cell_length_c                   5.2450
_cell_volume                     450.830
_database_code_amcsd             0004193
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.655
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9010072
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 200 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010073
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Hd21, T = 200 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.724
_cell_angle_gamma                90
_cell_length_a                   9.8395
_cell_length_b                   9.0177
_cell_length_c                   5.2425
_cell_formula_units_Z            4
_cell_volume                     449.890
_database_code_amcsd             0004194
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    3.663
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9010073
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 100K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010074
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Hd21, T = 100K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.664
_cell_angle_gamma                90
_cell_length_a                   9.8357
_cell_length_b                   9.0078
_cell_length_c                   5.2408
_cell_formula_units_Z            4
_cell_volume                     449.200
_database_code_amcsd             0004195
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.668
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9010074
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae051, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010075
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae051, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.949 Fe Na0.051 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.088
_cell_angle_gamma                90
_cell_length_a                   9.8354
_cell_length_b                   9.0108
_cell_length_c                   5.2560
_cell_formula_units_Z            4
_cell_volume                     449.754
_database_code_amcsd             0004196
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.651
_cod_original_formula_sum        '(Ca.949 Na.051) Fe Si2 O6'
_cod_database_code               9010075
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd102m, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010076
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Hd102m, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.904 Fe Na0.096 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.013
_cell_angle_gamma                90
_cell_length_a                   9.8248
_cell_length_b                   8.9973
_cell_length_c                   5.2549
_cell_formula_units_Z            4
_cell_volume                     448.660
_database_code_amcsd             0004197
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.649
_cod_original_formula_sum        '(Ca.904 Na.096) Fe Si2 O6'
_cod_database_code               9010076
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae151, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010077
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae151, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.85 Fe Na0.15 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.356
_cell_angle_gamma                90
_cell_length_a                   9.8067
_cell_length_b                   8.9852
_cell_length_c                   5.2886
_cell_formula_units_Z            4
_cell_volume                     449.369
_database_code_amcsd             0004198
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.629
_cod_original_formula_sum        '(Ca.85 Na.15) Fe Si2 O6'
_cod_database_code               9010077
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae201, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010078
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae201, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.758 Fe Na0.242 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.496
_cell_angle_gamma                90
_cell_length_a                   9.7929
_cell_length_b                   8.9656
_cell_length_c                   5.2696
_cell_formula_units_Z            4
_cell_volume                     445.848
_database_code_amcsd             0004199
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.634
_cod_original_formula_sum        '(Ca.758 Na.242) Fe Si2 O6'
_cod_database_code               9010078
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae251, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010079
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae251, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.742 Fe Na0.258 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.520
_cell_angle_gamma                90
_cell_length_a                   9.7938
_cell_length_b                   8.9685
_cell_length_c                   5.2632
_cell_formula_units_Z            4
_cell_volume                     445.440
_database_code_amcsd             0004200
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.634
_cod_original_formula_sum        '(Ca.742 Na.258) Fe Si2 O6'
_cod_database_code               9010079
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae401, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010080
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae401, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.615 Fe Na0.385 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 106.031
_cell_angle_gamma                90
_cell_length_a                   9.7560
_cell_length_b                   8.9252
_cell_length_c                   5.2739
_cell_formula_units_Z            4
_cell_volume                     441.363
_database_code_amcsd             0004201
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.635
_cod_original_formula_sum        '(Ca.615 Na.385) Fe Si2 O6'
_cod_database_code               9010080
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae451, T = 298 K
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010081
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae451, T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.55 Fe Na0.45 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 106.126
_cell_angle_gamma                90
_cell_length_a                   9.7428
_cell_length_b                   8.9091
_cell_length_c                   5.2750
_cell_formula_units_Z            4
_cell_volume                     439.852
_database_code_amcsd             0004202
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.630
_cod_original_formula_sum        '(Ca.55 Na.45) Fe Si2 O6'
_cod_database_code               9010081
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae503
Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.; American Mineralogist 91 (2006) 1271–1292; doi:10.2138/am.2006.2173

data_9010082
_publ_section_title
;Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid
 solution Locality: synthetic Sample: Ae503
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1271
_journal_page_last               1292
_journal_paper_doi               10.2138/am.2006.2173
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.506 Fe Na0.494 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 106.221
_cell_angle_gamma                90
_cell_length_a                   9.7412
_cell_length_b                   8.9086
_cell_length_c                   5.2776
_cell_formula_units_Z            4
_cell_volume                     439.760
_database_code_amcsd             0004203
_exptl_crystal_density_diffrn    3.620
_cod_original_formula_sum        '(Ca.506 Na.494) Fe Si2 O6'
_cod_database_code               9010082