LMucko/crystallography-open-database huggingface dataset:
The crystal structure of Ba2 Cu Al F9: a new structure type in copper fluoride chemistry
Dupont, N.; Gredin, P.; Fouquet, S.; de Kozak, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1310–1314; doi:

data_1521021
_publ_section_title
;
 The crystal structure of Ba2 Cu Al F9: a new structure type in copper
 fluoride chemistry
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1310
_journal_page_last               1314
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Al Ba2 Cu F9'
_chemical_name_systematic        'Ba2 (Cu Al F9)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.374
_cell_length_b                   7.312
_cell_length_c                   9.371
_cell_volume                     368.228
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dupont_ZAACAB_1999_798.cif
_cod_data_source_block           Al1Ba2Cu1F9
_cod_original_cell_volume        368.2283
_cod_original_formula_sum        'Al1 Ba2 Cu1 F9'
_cod_database_code               1521021
An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in (Xe2 F3) (As F6): and a density functional theory study of the (Xe2 F3)(+) cation
Fir, B.A.; Gerken, M.; Dixon, D.A.; Mercier, H.P.A.; Pointner, B.E.; Schrobilgen, G.J.D.; Journal of Fluorine Chemistry 105 (2000) 159–167; doi:

data_1521022
_publ_section_title
;
 An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in
 (Xe2 F3) (As F6): and a density functional theory study of the (Xe2
 F3)(+) cation
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              159
_journal_page_last               167
_journal_volume                  105
_journal_year                    2000
_chemical_formula_sum            'F9 Sb Xe2'
_chemical_name_systematic        '(Xe2 F3) (Sb F6)'
_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                 130.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.575
_cell_length_b                   8.1081
_cell_length_c                   9.9926
_cell_volume                     899.820
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Fir_JFLCAR_2000_1533.cif
_cod_data_source_block           F9Sb1Xe2
_cod_original_cell_volume        899.8203
_cod_original_formula_sum        'F9 Sb1 Xe2'
_cod_database_code               1521022
Structural transformation of the oxygen and proton conductor Ba2 In2 O5 in humid air: an in-situ X-ray powder diffraction study
Fischer, W.; Reck, G.; Schober, T.; Solid State Ionics 116 (1999) 211–215; doi:

data_1521023
_publ_section_title
;
 Structural transformation of the oxygen and proton conductor Ba2 In2 O5
 in humid air: an in-situ X-ray powder diffraction study
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              211
_journal_page_last               215
_journal_volume                  116
_journal_year                    1999
_chemical_formula_sum            'Ba2 In2 O5'
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7191
_cell_length_b                   6.0833
_cell_length_c                   5.9563
_cell_volume                     605.799
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Fischer_SSIOD3_1999_745.cif
_cod_data_source_block           Ba2In2O5
_cod_original_cell_volume        605.7992
_cod_database_code               1521023
Structure cristalline du disilicure de fer, Fe Si2 beta
Dusausoy, Y.; Protas, J.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1209–1218; doi:

data_2106045
_publ_section_title
;
 Structure cristalline du disilicure de fer, Fe Si2 beta
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1209
_journal_page_last               1218
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Fe Si2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.863
_cell_length_b                   7.791
_cell_length_c                   7.833
_cell_volume                     601.908
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dusausoy_ACBCAR_1971_1964.cif
_cod_data_source_block           Fe1Si2
_cod_original_cell_volume        601.9083
_cod_original_formula_sum        'Fe1 Si2'
_cod_database_code               2106045
Structural transformation of the oxygen and proton conductor Ba2 In2 O5 in humid air: an in-situ X-ray powder diffraction study
Fischer, W.; Reck, G.; Schober, T.; Solid State Ionics 116 (1999) 211–215; doi:

data_1521024
_publ_section_title
;
 Structural transformation of the oxygen and proton conductor Ba2 In2 O5
 in humid air: an in-situ X-ray powder diffraction study
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              211
_journal_page_last               215
_journal_volume                  116
_journal_year                    1999
_chemical_formula_sum            'Ba2 H2 In2 O6'
_chemical_name_systematic        'Ba2 In2 O5 (H2 O)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1827
_cell_length_b                   4.1827
_cell_length_c                   8.9617
_cell_volume                     156.785
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Fischer_SSIOD3_1999_746.cif
_cod_data_source_block           H2Ba2In2O6
_cod_original_cell_volume        156.7848
_cod_original_formula_sum        'H2 Ba2 In2 O6'
_cod_database_code               1521024
Synthesis of Sr2 Pr O4: a Pr(4+)-containing oxide in the Sr2 Pb O4 structure type
Fiscus, J.E.; zur Loye, H.C.; Journal of Alloys Compd. 306 (2000) 141–145; doi:

data_1521025
_publ_section_title
;
 Synthesis of Sr2 Pr O4: a Pr(4+)-containing oxide in the Sr2 Pb O4
 structure type
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              141
_journal_page_last               145
_journal_volume                  306
_journal_year                    2000
_chemical_formula_sum            'O4 Pr Sr2'
_chemical_name_systematic        'Sr2 Pr O4'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.12382
_cell_length_b                   10.28083
_cell_length_c                   3.58963
_cell_volume                     225.996
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Fiscus_JALCEU_2000_1362.cif
_cod_data_source_block           O4Pr1Sr2
_cod_original_cell_volume        225.9957
_cod_original_formula_sum        'O4 Pr1 Sr2'
_cod_database_code               1521025
On the crystal structure of a new binary oxide Sr3 Te4 O11
Dytyatev, O.A.; Dolgikh, V.A.; Materials Research Bulletin 34 (1999) 733–740; doi:

data_1521026
_publ_section_title
;
 On the crystal structure of a new binary oxide Sr3 Te4 O11
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              733
_journal_page_last               740
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'O11 Sr3 Te4'
_chemical_name_systematic        'Sr3 Te4 O11'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                98.07
_cell_angle_beta                 109.55
_cell_angle_gamma                102.19
_cell_formula_units_Z            2
_cell_length_a                   7.531
_cell_length_b                   9.24
_cell_length_c                   9.546
_cell_volume                     595.586
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Dytyatev_MRBUAC_1999_530.cif
_cod_data_source_block           O11Sr3Te4
_cod_original_cell_volume        595.5862
_cod_database_code               1521026
Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6 (A(2+) = Ba(2+), Sr(2+), Pb(2+))
de Nadai, C.; Demourgues, A.; Gravereau, P.; Grannec, J.; Journal of Solid State Chemistry 148 (1999) 242–249; doi:

data_1521027
_publ_section_title
;
 Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6
 (A(2+) = Ba(2+), Sr(2+), Pb(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              242
_journal_page_last               249
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            'Ba2 F6 Pd'
_chemical_name_systematic        'Ba2 Pd F6'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.09
_cell_length_b                   6.163
_cell_length_c                   6.158
_cell_volume                     648.595
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            deNadai_JSSCBI_1999_384.cif
_cod_data_source_block           Ba2F6Pd1
_cod_original_cell_volume        648.5955
_cod_original_formula_sum        'Ba2 F6 Pd1'
_cod_database_code               1521027
The ternary system Ce - Si - Y. Phase relations, crystallographic and magnetic properties
Flandorfer, H.; Godart, C.; Groebner, J.; Kostikas, A.; Rogl, P.; Psicharis, V.; Effenberg, G.; Ferro, R.; Saccone, A.; Journal of Alloys Compd. 297 (2000) 129–136; doi:

data_1521028
_publ_section_title
;
 The ternary system Ce - Si - Y. Phase relations, crystallographic and
 magnetic properties
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              129
_journal_page_last               136
_journal_volume                  297
_journal_year                    2000
_chemical_formula_sum            'Ce Si4 Y4'
_chemical_name_systematic        'Ce Y4 Si4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.463
_cell_length_b                   14.742
_cell_length_c                   7.778
_cell_volume                     855.732
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Flandorfer_JALCEU_2000_1215.cif
_cod_data_source_block           Ce1Si4Y4
_cod_original_formula_sum        'Ce1 Si4 Y4'
_cod_database_code               1521028
Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; American Mineralogist 85 (2000) 1437–1446; doi:

data_1521029
_publ_section_title
;
 Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site
 preference, and degradation of monoclinic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1446
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca9.8 Cl2 La0.1 Na0.1 O24 P6'
_chemical_name_systematic        '(Ca9.8 Na0.1 La0.1) (P O4)6 Cl2'
_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            1
_cell_length_a                   9.6499
_cell_length_b                   9.6499
_cell_length_c                   6.7725
_cell_volume                     546.167
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_2000_944.cif
_cod_data_source_block           Ca9.8Cl2La0.1Na0.1O24P6
_cod_original_cell_volume        546.1668
_cod_database_code               1521029
Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6 (A(2+) = Ba(2+), Sr(2+), Pb(2+))
de Nadai, C.; Demourgues, A.; Grannec, J.; Gravereau, P.; Journal of Solid State Chemistry 148 (1999) 242–249; doi:

data_1521030
_publ_section_title
;
 Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6
 (A(2+) = Ba(2+), Sr(2+), Pb(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              242
_journal_page_last               249
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            'Ba F6 Pd Sr'
_chemical_name_systematic        'Ba Sr Pd F6'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.872
_cell_length_b                   6.007
_cell_length_c                   6.014
_cell_volume                     609.520
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            deNadai_JSSCBI_1999_385.cif
_cod_data_source_block           Ba1F6Pd1Sr1
_cod_original_cell_volume        609.5195
_cod_original_formula_sum        'Ba1 F6 Pd1 Sr1'
_cod_database_code               1521030
Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; American Mineralogist 85 (2000) 1437–1446; doi:

data_1521031
_publ_section_title
;
 Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site
 preference, and degradation of monoclinic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1446
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca9.64 Cl2 Na0.18 Nd0.18 O24 P6'
_chemical_name_systematic        '(Ca9.64 Na0.18 Nd0.18) (P O4)6 Cl2'
_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            1
_cell_length_a                   9.6474
_cell_length_b                   9.6474
_cell_length_c                   6.7747
_cell_volume                     546.061
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_2000_945.cif
_cod_data_source_block           Ca9.64Cl2Na0.18Nd0.18O24P6
_cod_original_cell_volume        546.0612
_cod_database_code               1521031
Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; American Mineralogist 85 (2000) 1437–1446; doi:

data_1521032
_publ_section_title
;
 Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site
 preference, and degradation of monoclinic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1446
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca9.66 Cl2 Na0.17 O24 P6 Sm0.17'
_chemical_name_systematic        '(Ca9.66 Na0.17 Sm0.17) (P O4)6 Cl2'
_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            1
_cell_length_a                   9.6492
_cell_length_b                   9.6492
_cell_length_c                   6.7668
_cell_volume                     545.628
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_2000_946.cif
_cod_data_source_block           Ca9.66Cl2Na0.17O24P6Sm0.17
_cod_database_code               1521032
Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; American Mineralogist 85 (2000) 1437–1446; doi:

data_1521033
_publ_section_title
;
 Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site
 preference, and degradation of monoclinic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1446
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca9.72 Cl2 Dy0.14 Na0.14 O24 P6'
_chemical_name_systematic        '(Ca9.72 Na0.14 Dy0.14) (P O4)6 Cl2'
_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            1
_cell_length_a                   9.6487
_cell_length_b                   9.6487
_cell_length_c                   6.7652
_cell_volume                     545.442
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_2000_947.cif
_cod_data_source_block           Ca9.72Cl2Dy0.14Na0.14O24P6
_cod_original_cell_volume        545.4424
_cod_database_code               1521033
Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; American Mineralogist 85 (2000) 1437–1446; doi:

data_1521034
_publ_section_title
;
 Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site
 preference, and degradation of monoclinic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1446
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca9.576 Dy0.212 H2 Na0.212 O26 P6'
_chemical_name_systematic        '(Ca9.576 Na0.212 Dy0.212) (P O4)6 (O H)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.4179
_cell_length_b                   18.8357
_cell_length_c                   6.8793
_cell_volume                     1056.844
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_2000_948.cif
_cod_data_source_block           H2Ca9.576Dy0.212Na0.212O26P6
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H2 Ca9.576 Dy0.212 Na0.212 O26 P6'
_cod_database_code               1521034
Synthesis, crystal structure, stoichiometry and magnetic properties of (Ca1-x Srx) V O3
Garcia-Jaca, J.; Larramendi, J.I.R.; Insausti, M.; Mesa, J.L.; Arriortua, M.I.; Rojo, T.; Materials Research Bulletin 34 (1999) 289–301; doi:

data_1521035
_publ_section_title
;
 Synthesis, crystal structure, stoichiometry and magnetic properties of
 (Ca1-x Srx) V O3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              289
_journal_page_last               301
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ca0.73 O3 Sr0.27 V'
_chemical_name_systematic        '(Ca0.73 Sr0.27) (V O3)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3636
_cell_length_b                   5.3636
_cell_length_c                   7.565
_cell_volume                     217.631
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Garcia-Jaca_MRBUAC_1999_519.cif
_cod_data_source_block           Ca0.73O3Sr0.27V1
_cod_original_cell_volume        217.6315
_cod_original_formula_sum        'Ca0.73 O3 Sr0.27 V1'
_cod_database_code               1521035
Site preference of rare earth elements in hydroxyapatite Ca10 (P O4)6 (O H)2
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; Journal of Solid State Chemistry 149 (2000) 391–398; doi:

data_1521036
_publ_section_title
;
 Site preference of rare earth elements in hydroxyapatite Ca10 (P O4)6 (O
 H)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              391
_journal_page_last               398
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum
'Ca9.674 H2 La0.286 Na0.045 O26 P5.784 Si0.216'
_chemical_name_systematic
;
Ca9.674 Na0.045 La0.286 (P0.964 Si0.036 O4)6 (O H)2
;
_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            1
_cell_length_a                   9.4341
_cell_length_b                   9.4341
_cell_length_c                   6.8951
_cell_volume                     531.462
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fleet_JSSCBI_2000_1737.cif
_cod_data_source_block           H2Ca9.674La0.286Na0.045O26P5.784Si0.216
_cod_original_formula_sum
'H2 Ca9.674 La0.286 Na0.045 O26 P5.784 Si0.216'
_cod_database_code               1521036
Site preference of rare earth elements in hydroxyapatite Ca10 (P O4)6 (O H)2
Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.; Journal of Solid State Chemistry 149 (2000) 391–398; doi:

data_1521037
_publ_section_title
;
 Site preference of rare earth elements in hydroxyapatite Ca10 (P O4)6 (O
 H)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              391
_journal_page_last               398
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum
'Ca9.616 H2 Na0.064 Nd0.317 O26 P5.712 Si0.288'
_chemical_name_systematic
;
Ca9.616 Na0.064 Nd0.317 (P0.952 Si0.048 O4)6 (O H)2
;
_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            1
_cell_length_a                   9.4205
_cell_length_b                   9.4205
_cell_length_c                   6.8846
_cell_volume                     529.124
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fleet_JSSCBI_2000_1738.cif
_cod_data_source_block           H2Ca9.616Na0.064Nd0.317O26P5.712Si0.288
_cod_original_cell_volume        529.1237
_cod_original_formula_sum
'H2 Ca9.616 Na0.064 Nd0.317 O26 P5.712 Si0.288'
_cod_database_code               1521037