LMucko/crystallography-open-database huggingface dataset:
Closure temperatures of intracrystalline ordering in anatectic and metamorphic hercynite, Fe2+Al2O4 Note: Sample HO15 Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
Lavina, B.; Cesare, B.; Alvarez-Valero A M; Uchida, H.; Downs, R. T.; Koneva, A.; Dera, P.; American Mineralogist 94 (2009) 657–665; doi:10.2138/am.2009.3031

data_9013623
_publ_section_title
;Closure temperatures of intracrystalline ordering in anatectic and
 metamorphic hercynite, Fe2+Al2O4 Note: Sample HO15 Locality: El Hoyazo, lavas
 of the Neogene Volcanic Province of SE Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              657
_journal_page_last               665
_journal_paper_doi               10.2138/am.2009.3031
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain'
_chemical_formula_sum            'Al1.93 Fe0.898 Mg0.15 Mn0.006 O4 Ti0.006'
_chemical_name_mineral           Hercynite
_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_length_a                   8.1504
_cell_length_b                   8.1504
_cell_length_c                   8.1504
_cell_formula_units_Z            8
_cell_volume                     541.423
_database_code_amcsd             0004920
_exptl_crystal_density_diffrn    4.183
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe.898 Al1.93 Mg.15 Ti.006 Mn.006 O4'
_cod_database_code               9013623
Closure temperatures of intracrystalline ordering in anatectic and metamorphic hercynite, Fe2+Al2O4 Note: Sample HO27BC Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
Lavina, B.; Cesare, B.; Alvarez-Valero A M; Uchida, H.; Downs, R. T.; Koneva, A.; Dera, P.; American Mineralogist 94 (2009) 657–665; doi:10.2138/am.2009.3031

data_9013624
_publ_section_title
;Closure temperatures of intracrystalline ordering in anatectic and
 metamorphic hercynite, Fe2+Al2O4 Note: Sample HO27BC Locality: El Hoyazo,
 lavas of the Neogene Volcanic Province of SE Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              657
_journal_page_last               665
_journal_paper_doi               10.2138/am.2009.3031
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain'
_chemical_formula_sum
'Al1.922 Fe0.892 Mg0.164 Mn0.006 O4 Ti0.004 Zn0.002'
_chemical_name_mineral           Hercynite
_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_length_a                   8.1474
_cell_length_b                   8.1474
_cell_formula_units_Z            8
_cell_length_c                   8.1474
_cell_volume                     540.825
_database_code_amcsd             0004921
_exptl_crystal_density_diffrn    4.183
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Fe.892 Al1.922 Mg.164 Ti.004 Mn.006 Zn.002 O4'
_cod_database_code               9013624
Closure temperatures of intracrystalline ordering in anatectic and metamorphic hercynite, Fe2+Al2O4 Note: Sample 441A Locality: the Anga metamorphic complex, Lake Baikal, Russia
Lavina, B.; Cesare, B.; Alvarez-Valero A M; Uchida, H.; Downs, R. T.; Koneva, A.; Dera, P.; American Mineralogist 94 (2009) 657–665; doi:10.2138/am.2009.3031

data_9013625
_publ_section_title
;Closure temperatures of intracrystalline ordering in anatectic and
 metamorphic hercynite, Fe2+Al2O4 Note: Sample 441A Locality: the Anga
 metamorphic complex, Lake Baikal, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              657
_journal_page_last               665
_journal_paper_doi               10.2138/am.2009.3031
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'the Anga metamorphic complex, Lake Baikal, Russia'
_chemical_formula_sum            'Al1.966 Fe0.84 Mg0.19 O4'
_chemical_name_mineral           Hercynite
_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_length_a                   8.1460
_cell_length_b                   8.1460
_cell_length_c                   8.1460
_cell_formula_units_Z            8
_cell_volume                     540.547
_database_code_amcsd             0004922
_exptl_crystal_density_diffrn    4.143
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe.84 Al1.966 Mg.19 O4'
_cod_database_code               9013625
Closure temperatures of intracrystalline ordering in anatectic and metamorphic hercynite, Fe2+Al2O4 Note: Sample 441B Locality: the Anga metamorphic complex, Lake Baikal, Russia
Lavina, B.; Cesare, B.; Alvarez-Valero A M; Uchida, H.; Downs, R. T.; Koneva, A.; Dera, P.; American Mineralogist 94 (2009) 657–665; doi:10.2138/am.2009.3031

data_9013626
_publ_section_title
;Closure temperatures of intracrystalline ordering in anatectic and
 metamorphic hercynite, Fe2+Al2O4 Note: Sample 441B Locality: the Anga
 metamorphic complex, Lake Baikal, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              657
_journal_page_last               665
_journal_paper_doi               10.2138/am.2009.3031
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'the Anga metamorphic complex, Lake Baikal, Russia'
_chemical_formula_sum            'Al1.944 Fe0.838 Mg0.206 O4 Ti0.008 V0.004'
_chemical_name_mineral           Hercynite
_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_length_a                   8.1451
_cell_length_b                   8.1451
_cell_length_c                   8.1451
_cell_volume                     540.368
_database_code_amcsd             0004923
_exptl_crystal_density_diffrn    4.151
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe.838 Al1.944 Mg.206 Ti.008 V.004 O4'
_cod_database_code               9013626
_cell_formula_units_Z 8
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As0
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013627
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca5 H O13 P3'
_chemical_name_mineral           Hydroxylapatite
_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_formula_units_Z            2
_cell_length_a                   9.4212
_cell_length_b                   9.4212
_cell_length_c                   6.8927
_cell_volume                     529.825
_database_code_amcsd             0004924
_exptl_crystal_density_diffrn    3.149
_cod_original_formula_sum        'Ca5 P3 O13 H'
_cod_database_code               9013627
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As11
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013628
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.33 Ca5 H O13 P2.67'
_chemical_name_mineral           Hydroxylapatite
_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                   9.4655
_cell_length_b                   9.4655
_cell_length_c                   6.9068
_cell_formula_units_Z            2
_cell_volume                     535.913
_database_code_amcsd             0004925
_exptl_crystal_density_diffrn    3.203
_cod_original_formula_sum        'Ca5 (As.33 P2.67) O13 H'
_cod_database_code               9013628
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As24
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013629
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As24
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.727 Ca5 H O13 P2.273'
_chemical_name_mineral           Hydroxylapatite
_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                   9.5075
_cell_length_b                   9.5075
_cell_length_c                   6.9187
_cell_formula_units_Z            2
_cell_volume                     541.611
_database_code_amcsd             0004926
_exptl_crystal_density_diffrn    3.276
_cod_original_formula_sum        'Ca5 (As.727 P2.273) O13 H'
_cod_database_code               9013629
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As43
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013630
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As43
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As1.298 Ca5 H O13 P1.702'
_chemical_name_mineral           Hydroxylapatite
_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                   9.5640
_cell_length_b                   9.5640
_cell_length_c                   6.9360
_cell_formula_units_Z            2
_cell_volume                     549.438
_database_code_amcsd             0004927
_exptl_crystal_density_diffrn    3.381
_cod_original_formula_sum        'Ca5 (As1.298 P1.702) O13 H'
_cod_database_code               9013630
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As66
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013631
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As66
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As1.972 Ca5 H O13 P1.028'
_chemical_name_mineral           Johnbaumite
_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                   9.6311
_cell_length_b                   9.6311
_cell_length_c                   6.9556
_cell_formula_units_Z            2
_cell_volume                     558.749
_database_code_amcsd             0004928
_exptl_crystal_density_diffrn    3.501
_cod_original_formula_sum        'Ca5 (As1.972 P1.028) O13 H'
_cod_database_code               9013631
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As80
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013632
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As80
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2.405 Ca5 H O13 P0.595'
_chemical_name_mineral           Johnbaumite
_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                   9.6758
_cell_length_b                   9.6758
_cell_length_c                   6.9732
_cell_formula_units_Z            2
_cell_volume                     565.375
_database_code_amcsd             0004929
_exptl_crystal_density_diffrn    3.571
_cod_original_formula_sum        'Ca5 (As2.405 P.595) O13 H'
_cod_database_code               9013632
Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As100
Lee, Y. J.; Stephens, P. W.; Tang, Y.; Li, W.; Phillips, B. L.; Parise, J. B.; Reeder, R. J.; American Mineralogist 94 (2009) 666–675; doi:10.2138/am.2009.3120

data_9013633
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              666
_journal_page_last               675
_journal_paper_doi               10.2138/am.2009.3120
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Ca5 H O13'
_chemical_name_mineral           Johnbaumite
_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_formula_units_Z            2
_cell_length_a                   9.7156
_cell_length_b                   9.7156
_cell_length_c                   6.9857
_cell_volume                     571.057
_database_code_amcsd             0004930
_exptl_crystal_density_diffrn    3.688
_cod_original_formula_sum        'Ca5 As3 O13 H'
_cod_database_code               9013633
The crystal chemical role of Zn in alunite-type minerals: Structure refinements for kintoreite and zincian kintoreite
Grey, I. E.; Mumme, W. G.; Mills, S. J.; Birch, W. D.; Wilson, N. C.; American Mineralogist 94 (2009) 676–683; doi:10.2138/am.2009.3083

data_9013634
_publ_section_title
;
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               683
_journal_paper_doi               10.2138/am.2009.3083
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Schone Aussicht mine, near Dernbach, Germany'
_chemical_formula_sum            'Fe3 H6 O14 P2 Pb'
_chemical_name_mineral           Kintoreite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.2963
_cell_length_b                   7.2963
_cell_length_c                   16.8491
_cell_formula_units_Z            3
_cell_volume                     776.806
_database_code_amcsd             0004931
_exptl_crystal_density_diffrn    4.276
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb Fe3 P2 O14 H6'
_cod_database_code               9013634
The crystal chemical role of Zn in alunite-type minerals: Structure refinements for kintoreite and zincian kintoreite
Grey, I. E.; Mumme, W. G.; Mills, S. J.; Birch, W. D.; Wilson, N. C.; American Mineralogist 94 (2009) 676–683; doi:10.2138/am.2009.3083

data_9013635
_publ_section_title
;
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               683
_journal_paper_doi               10.2138/am.2009.3083
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Kintore mine at Broken Hill, New South Wales'
_chemical_formula_sum            'As0.766 Fe3 H6 O14 P1.08 Pb S0.16 Zn0.31'
_chemical_name_mineral           Kintoreite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.3789
_cell_length_b                   7.3789
_cell_length_c                   16.8552
_cell_volume                     794.782
_database_code_amcsd             0004932
_exptl_crystal_density_diffrn    4.519
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb Fe3 Zn.31 P1.08 S.16 As.766 O14 H6'
_cod_database_code               9013635
High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 5 GPa
Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W.; American Mineralogist 94 (2009) 704–709; doi:10.2138/am.2009.3072

data_9013636
_publ_section_title
;
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              704
_journal_page_last               709
_journal_paper_doi               10.2138/am.2009.3072
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Mg O7 Si2'
_chemical_name_mineral           Akermanite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.740
_cell_length_b                   7.740
_cell_length_c                   4.932
_cell_formula_units_Z            2
_cell_volume                     295.464
_database_code_amcsd             0004933
_diffrn_ambient_pressure         5e+06
_exptl_crystal_density_diffrn    3.064
_cod_original_formula_sum        'Mg Ca2 Si2 O7'
_cod_database_code               9013636
High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 15 GPa
Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W.; American Mineralogist 94 (2009) 704–709; doi:10.2138/am.2009.3072

data_9013637
_publ_section_title
;
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 15 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              704
_journal_page_last               709
_journal_paper_doi               10.2138/am.2009.3072
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Mg O7 Si2'
_chemical_name_mineral           Akermanite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.570
_cell_length_b                   7.570
_cell_length_c                   4.781
_cell_formula_units_Z            2
_cell_volume                     273.975
_database_code_amcsd             0004934
_diffrn_ambient_pressure         1.5e+07
_exptl_crystal_density_diffrn    3.305
_cod_original_formula_sum        'Mg Ca2 Si2 O7'
_cod_database_code               9013637
High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 15.7 GPa
Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W.; American Mineralogist 94 (2009) 704–709; doi:10.2138/am.2009.3072

data_9013638
_publ_section_title
;
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 15.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              704
_journal_page_last               709
_journal_paper_doi               10.2138/am.2009.3072
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Mg O7 Si2'
_chemical_name_mineral           Akermanite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.1
_cell_angle_gamma                90
_cell_length_a                   8.82
_cell_length_b                   7.34
_cell_length_c                   9.13
_cell_formula_units_Z            4
_cell_volume                     535.250
_database_code_amcsd             0004935
_diffrn_ambient_pressure         1.57e+07
_exptl_crystal_density_diffrn    3.383
_cod_original_formula_sum        'Mg Si2 Ca2 O7'
_cod_database_code               9013638