LMucko/crystallography-open-database huggingface dataset:
Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series
Chevrier, G.; Giester, G.; Zemann, J.; Zeitschrift fur Kristallographie 206 (1993) 7–14; doi:

data_9008428
_publ_section_title
;
 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  206
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 H3 Na O10 S2'
_chemical_name_mineral           Natrochalcite
_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                 118.74
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.809
_cell_length_b                   6.187
_cell_length_c                   7.509
_cell_volume                     358.835
_database_code_amcsd             0011040
_exptl_crystal_density_diffrn    3.491
_cod_original_formula_sum        'Na Cu2 S2 O10 H3'
_cod_database_code               9008428
Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series
Chevrier, G.; Giester, G.; Zemann, J.; Zeitschrift fur Kristallographie 206 (1993) 7–14; doi:

data_9008429
_publ_section_title
;
 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  206
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     RbCu2(SO4)2(OH)(H2O)
_chemical_formula_sum            'Cu2 H3 O10 Rb S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.11
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.246
_cell_length_b                   6.483
_cell_length_c                   7.940
_cell_volume                     427.369
_database_code_amcsd             0011041
_exptl_crystal_density_diffrn    3.417
_cod_original_formula_sum        'Rb Cu2 S2 O10 H3'
_cod_database_code               9008429
_amcsd_formula_title             RbCu2(SO4)2(OH)(H2O)
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: unannealed sample
Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A; Zeitschrift fur Kristallographie 206 (1993) 233–246; doi:10.1524/zkri.1993.206.Part-2.233

data_9008430
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: unannealed sample
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               246
_journal_paper_doi               10.1524/zkri.1993.206.Part-2.233
_journal_volume                  206
_journal_year                    1993
_chemical_compound_source        'the Kipawa syenite gneiss complex'
_chemical_formula_sum            'Ca2.15 Ce2.85 F0.84 H O12.16 Si3'
_chemical_name_mineral           Britholite-(Ce)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.079
_cell_formula_units_Z            2
_cell_length_a                   9.5804
_cell_length_b                   9.5901
_cell_length_c                   6.9802
_cell_volume                     554.957
_database_code_amcsd             0011042
_exptl_crystal_density_diffrn    4.670
_cod_original_formula_sum        '(Ca2.15 Ce2.85) Si3 O12.16 F.84 H'
_cod_database_code               9008430
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: annealed sample
Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A; Zeitschrift fur Kristallographie 206 (1993) 233–246; doi:10.1524/zkri.1993.206.Part-2.233

data_9008431
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: annealed sample
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               246
_journal_paper_doi               10.1524/zkri.1993.206.Part-2.233
_journal_volume                  206
_journal_year                    1993
_chemical_compound_source        'the Kipawa syenite gneiss complex'
_chemical_formula_sum            'Ca2.43 Ce2.57 F0.8 H O12.1 Si3'
_chemical_name_mineral           Britholite-(Ce)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.038
_cell_formula_units_Z            2
_cell_length_a                   9.4932
_cell_length_b                   9.4985
_cell_length_c                   6.9371
_cell_volume                     541.514
_database_code_amcsd             0011043
_exptl_crystal_density_diffrn    4.604
_cod_original_formula_sum        '(Ca2.43 Ce2.57) Si3 O12.1 F.8 H'
_cod_database_code               9008431
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: unannealed sample Locality: Suishoyama, Japan
Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A; Zeitschrift fur Kristallographie 206 (1993) 233–246; doi:10.1524/zkri.1993.206.Part-2.233

data_9008432
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: unannealed sample
 Locality: Suishoyama, Japan
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               246
_journal_paper_doi               10.1524/zkri.1993.206.Part-2.233
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'Ca0.2 F0.93 H Lu0.32 O12.07 Si3 Y4.48'
_chemical_name_mineral           Britholite-(Y)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.0284
_cell_formula_units_Z            2
_cell_length_a                   9.4216
_cell_length_b                   9.4138
_cell_length_c                   6.7639
_cell_volume                     519.389
_cod_original_formula_sum        'Y4.48 Lu.32 Ca.2 Si3 O12.07 F.93 H'
_cod_database_code               9008432
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: annealed sample Locality: Suishoyama, Japan
Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A; Zeitschrift fur Kristallographie 206 (1993) 233–246; doi:10.1524/zkri.1993.206.Part-2.233

data_9008433
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: annealed sample
 Locality: Suishoyama, Japan
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               246
_journal_paper_doi               10.1524/zkri.1993.206.Part-2.233
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'Ca0.23 F0.93 H Lu0.14 O12.07 Si3 Y4.63'
_chemical_name_mineral           Britholite-(Y)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.0121
_cell_formula_units_Z            2
_cell_length_a                   9.3619
_cell_length_b                   9.3636
_cell_length_c                   6.7306
_cell_volume                     510.903
_cod_original_formula_sum        'Y4.63 Ca.23 Lu.14 Si3 O12.07 F.93 H'
_cod_database_code               9008433
The crystal structure of a mineral related to paulkerrite
Demartin, F.; Pilati, T.; Gay, H. D.; Gramaccioli, C. M.; Zeitschrift fur Kristallographie 208 (1993) 57–71; doi:

data_9008434
_publ_section_title
;
 The crystal structure of a mineral related to paulkerrite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              57
_journal_page_last               71
_journal_volume                  208
_journal_year                    1993
_chemical_compound_source
'granitic pegmatites in Cerro Blanco, Tanti, Cordoba, Argentina'
_chemical_formula_sum
'Al0.14 F0.8 Fe1.78 H23.2 K0.32 Mg0.08 Mn1.5 O32.76 P4 Ti1.56'
_chemical_name_mineral           Benyacarite
_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_formula_units_Z            4
_cell_length_a                   10.561
_cell_length_b                   20.585
_cell_length_c                   12.516
_cell_volume                     2720.956
_database_code_amcsd             0011061
_exptl_crystal_density_diffrn    2.347
_cod_original_formula_sum
'Mn1.5 Fe1.78 Mg.08 Ti1.56 Al.14 P4 F.8 O32.76 K.32 H23.2'
_cod_database_code               9008434
Crystal structure of manganese chlorine boracite, Mn3B7O13Cl
Kubel, F.; Crottaz, O.; Zeitschrift fur Kristallographie 211 (1996) 924–924; doi:

data_9008435
_publ_section_title
;
 Crystal structure of manganese chlorine boracite, Mn3B7O13Cl
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              924
_journal_page_last               924
_journal_volume                  211
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B7 Cl Mn3 O13'
_chemical_name_mineral           Chambersite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.678
_cell_length_b                   8.688
_cell_length_c                   12.290
_cell_volume                     926.598
_database_code_amcsd             0011067
_exptl_crystal_density_diffrn    3.469
_cod_original_formula_sum        'Mn3 B7 O13 Cl'
_cod_database_code               9008435
Crystal structure and crystal chemistry of biehlite, Sb1.79As0.21MoO6
Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.; Czank, M.; Zeitschrift fur Kristallographie 215 (2000) 529–535; doi:

data_9008436
_publ_section_title
;
 Crystal structure and crystal chemistry of biehlite, Sb1.79As0.21MoO6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              529
_journal_page_last               535
_journal_volume                  215
_journal_year                    2000
_chemical_compound_source        'Tsumeb mine Namibia'
_chemical_formula_sum            'As0.21 Mo O6 Sb1.79'
_chemical_name_mineral           Biehlite
_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                 96.97
_cell_angle_gamma                90
_cell_length_a                   18.0760
_cell_length_b                   5.920
_cell_length_c                   5.083
_cell_formula_units_Z            4
_cell_volume                     539.912
_database_code_amcsd             0011087
_exptl_crystal_density_diffrn    5.236
_cod_original_formula_sum        '(Sb1.79 As.21) Mo O6'
_cod_database_code               9008436
Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
Hejny, C.; Armbruster, T.; Zeitschrift fur Kristallographie 216 (2001) 396–408; doi:10.1524/zkri.216.7.396.20363

data_9008437
_publ_section_title
;
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              396
_journal_page_last               408
_journal_paper_doi               10.1524/zkri.216.7.396.20363
_journal_volume                  216
_journal_year                    2001
_chemical_compound_source
'model structure, not experimentally determined'
_chemical_formula_sum            'Ca6 O19 Si6'
_chemical_name_mineral           Xonotlite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.36
_cell_angle_gamma                90
_cell_length_a                   17.032
_cell_length_b                   7.363
_cell_length_c                   14.023
_cell_formula_units_Z            4
_cell_volume                     1758.542
_database_code_amcsd             0011088
_exptl_crystal_density_diffrn    2.693
_cod_original_formula_sum        'Ca6 Si6 O19'
_cod_database_code               9008437
Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
Hejny, C.; Armbruster, T.; Zeitschrift fur Kristallographie 216 (2001) 396–408; doi:10.1524/zkri.216.7.396.20363

data_9008438
_publ_section_title
;
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              396
_journal_page_last               408
_journal_paper_doi               10.1524/zkri.216.7.396.20363
_journal_volume                  216
_journal_year                    2001
_chemical_compound_source
'model structure, not experimentally determined'
_chemical_formula_sum            'Ca6 O19 Si6'
_chemical_name_mineral           Xonotlite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.99
_cell_angle_beta                 90.36
_cell_angle_gamma                102.18
_cell_length_a                   8.712
_cell_length_b                   7.363
_cell_length_c                   7.012
_cell_formula_units_Z            1
_cell_volume                     439.661
_database_code_amcsd             0011089
_exptl_crystal_density_diffrn    2.693
_cod_original_formula_sum        'Ca6 Si6 O19'
_cod_database_code               9008438
Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
Hejny, C.; Armbruster, T.; Zeitschrift fur Kristallographie 216 (2001) 396–408; doi:10.1524/zkri.216.7.396.20363

data_9008439
_publ_section_title
;
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              396
_journal_page_last               408
_journal_paper_doi               10.1524/zkri.216.7.396.20363
_journal_volume                  216
_journal_year                    2001
_chemical_compound_source
'model structure, not experimentally determined'
_chemical_formula_sum            'Ca6 O19 Si6'
_chemical_name_mineral           Xonotlite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.36
_cell_angle_gamma                90
_cell_length_a                   17.032
_cell_length_b                   7.363
_cell_length_c                   7.012
_cell_formula_units_Z            2
_cell_volume                     879.334
_database_code_amcsd             0011090
_exptl_crystal_density_diffrn    2.693
_cod_original_formula_sum        'Ca6 Si6 O19'
_cod_database_code               9008439
Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiAl
Redhammer, G. J.; Roth, G.; Zeitschrift fur Kristallographie 219 (2004) 278–294; doi:10.1524/zkri.219.5.278.32748

data_9008440
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiAl
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_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                 110.07
_cell_angle_gamma                90
_cell_length_a                   9.474
_cell_length_b                   8.390
_cell_length_c                   5.219
_cell_formula_units_Z            4
_cell_volume                     389.650
_database_code_amcsd             0011109
_exptl_crystal_density_diffrn    3.172
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9008440
Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiGa
Redhammer, G. J.; Roth, G.; Zeitschrift fur Kristallographie 219 (2004) 278–294; doi:10.1524/zkri.219.5.278.32748

data_9008441
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiGa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiGaSi2O6
_chemical_formula_sum            'Ga Li O6 Si2'
_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                 110.22
_cell_angle_gamma                90
_cell_length_a                   9.593
_cell_length_b                   8.584
_cell_length_c                   5.284
_cell_volume                     408.303
_cell_formula_units_Z            4
_database_code_amcsd             0011110
_exptl_crystal_density_diffrn    3.723
_cod_original_formula_sum        'Li Ga Si2 O6'
_cod_database_code               9008441
_amcsd_formula_title             LiGaSi2O6
Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiCr Sample: T = 335 K
Redhammer, G. J.; Roth, G.; Zeitschrift fur Kristallographie 219 (2004) 278–294; doi:10.1524/zkri.219.5.278.32748

data_9008442
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiCr
 Sample: T = 335 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiCrSi2O6
_chemical_formula_sum            'Cr Li O6 Si2'
_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                 110.18
_cell_angle_gamma                90
_cell_length_a                   9.570
_cell_length_b                   8.582
_cell_length_c                   5.268
_cell_formula_units_Z            4
_cell_volume                     406.100
_database_code_amcsd             0011111
_diffrn_ambient_temperature      335
_exptl_crystal_density_diffrn    3.453
_cod_original_formula_sum        'Li Cr Si2 O6'
_cod_database_code               9008442
_amcsd_formula_title             LiCrSi2O6
Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiV
Redhammer, G. J.; Roth, G.; Zeitschrift fur Kristallographie 219 (2004) 278–294; doi:10.1524/zkri.219.5.278.32748

data_9008443
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiV
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiVSi2O6
_chemical_formula_sum            'Li O6 Si2 V'
_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                 110.15
_cell_angle_gamma                90
_cell_length_a                   9.657
_cell_length_b                   8.623
_cell_length_c                   5.287
_cell_volume                     413.314
_cell_formula_units_Z            4
_database_code_amcsd             0011112
_exptl_crystal_density_diffrn    3.376
_cod_original_formula_sum        'Li V Si2 O6'
_cod_database_code               9008443
_amcsd_formula_title             LiVSi2O6
Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiFe
Redhammer, G. J.; Roth, G.; Zeitschrift fur Kristallographie 219 (2004) 278–294; doi:10.1524/zkri.219.5.278.32748

data_9008444
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiFe
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiFeSi2O6
_chemical_formula_sum            'Fe Li O6 Si2'
_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                 110.19
_cell_angle_gamma                90
_cell_length_a                   9.664
_cell_length_b                   8.660
_cell_length_c                   5.293
_cell_volume                     415.753
_cell_formula_units_Z            4
_database_code_amcsd             0011113
_exptl_crystal_density_diffrn    3.434
_cod_original_formula_sum        'Li Fe Si2 O6'
_cod_database_code               9008444
_amcsd_formula_title             LiFeSi2O6