LMucko/crystallography-open-database huggingface dataset:
Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000221
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F~4~: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl Al F4'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium aluminium tetrafluoride - phase I'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   3.6587
_cell_length_b                   3.6587
_cell_length_c                   6.4378
_cell_volume                     86.2
_refine_ls_R_factor_all          0.0272
_cod_database_code               1000221
Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000222
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F~4~: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl Al F4'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium aluminium tetrafluoride - phase I'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   3.6492
_cell_length_b                   3.6492
_cell_length_c                   6.4137
_cell_volume                     85.4
_refine_ls_R_factor_all          0.0272
_cod_database_code               1000222
The Crystal Structure of Hg~2~FeF~5~(OH)~2~ H~2~O
Courant, E; Fourquet, J L; de Pape, R; Journal of Solid State Chemistry 60 (1985) 343–346; doi:10.1016/0022-4596(85)90285-3

data_1000223
_publ_section_title
;
The Crystal Structure of Hg~2~FeF~5~(OH)~2~ H~2~O
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               346
_journal_paper_doi               10.1016/0022-4596(85)90285-3
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Hg2 Fe F5 (O H)2 (H2 O)'
_chemical_formula_sum            'F5 Fe H4 Hg2 O3'
_chemical_name_systematic
;
Dimercury iron pentafluoro dihydroxide water
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.505(1)
_cell_length_b                   11.823(3)
_cell_length_c                   3.941(2)
_cell_volume                     349.7
_refine_ls_R_factor_all          0.0621
_cod_original_formula_sum        'H4 F5 Fe Hg2 O3'
_cod_database_code               1000223
_cod_duplicate_entry 1000218
Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.
Leblanc, M; Ferey, G; de Pape, R; Pannetier, J; Solid State Communications 58 (1986) 165–169; doi:10.1016/0038-1098(86)90835-5

data_1000224
_publ_section_title
;
Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              165
_journal_page_last               169
_journal_paper_doi               10.1016/0038-1098(86)90835-5
_journal_volume                  58
_journal_year                    1986
_chemical_formula_structural     '(N D4) Mn Fe F6'
_chemical_formula_sum            'D4 F6 Fe Mn N'
_chemical_name_systematic
;
Ammonium manganese ferrate hexafluoride * - deuterated
;
_space_group_IT_number           30
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      30
_symmetry_space_group_name_Hall  'P 2 -2bc'
_symmetry_space_group_name_H-M   'P n c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.5276(4)
_cell_length_b                   7.7970(2)
_cell_length_c                   12.8156(4)
_cell_volume                     1052.0
_refine_ls_R_factor_all          0.072
_cod_database_code               1000224
Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.
Leblanc, M; Ferey, G; de Pape, R; Pannetier, J; Solid State Communications 165 (1986) 169–369; doi:

data_1000225
_publ_section_title
;
Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              169
_journal_page_last               369
_journal_volume                  165
_journal_year                    1986
_chemical_formula_structural     '(N D4) Mn Fe F6'
_chemical_formula_sum            'D4 F6 Fe Mn N'
_chemical_name_systematic
;
Ammonium manganese ferrate hexafluoride - deuterated
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.7947(3)
_cell_length_b                   12.8133(5)
_cell_length_c                   10.5244(4)
_cell_volume                     1051.1
_refine_ls_R_factor_all          0.083
_cod_database_code               1000225
Crystal structure of Ba~6~ Zn~7~ F~26~
Renaudin, J; Samouel, M; Leblanc, M; Kozak, A de; Ferey, G; Journal of Solid State Chemistry 59 (1985) 103–110; doi:10.1016/0022-4596(85)90356-1

data_1000226
_publ_section_title              'Crystal structure of Ba~6~ Zn~7~ F~26~'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              103
_journal_page_last               110
_journal_paper_doi               10.1016/0022-4596(85)90356-1
_journal_volume                  59
_journal_year                    1985
_chemical_formula_structural     'Ba6 Zn7 F26'
_chemical_formula_sum            'Ba6 F26 Zn7'
_chemical_name_systematic
;
Barium zinc fluoride (6/7/26) - prepared under pressure of 205 Mpa and
at 673 K
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 128.88(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.46(1)
_cell_length_b                   5.956(2)
_cell_length_c                   12.243(5)
_cell_volume                     1104.6
_exptl_crystal_density_meas      5.23(11)
_exptl_crystal_thermal_history
'prepared under pressure of 205 Mpa and at 673 K'
_refine_ls_R_factor_all          0.046
_cod_database_code               1000226
_cod_duplicate_entry 1000217
Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~
Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G; Zeitschrift fuer Kristallographie (149,1979-) 181 (1987) 1–10; doi:

data_1000227
_publ_section_title
;
Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~
O)~2~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              1
_journal_page_last               10
_journal_volume                  181
_journal_year                    1987
_chemical_formula_structural     'Mn Fe F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe H4 Mn O2'
_chemical_name_systematic        'Manganese iron pentafluoride bis(hydrate)'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5635(2)
_cell_length_b                   10.901(1)
_cell_length_c                   6.7319(2)
_cell_volume                     555.0
_refine_ls_R_factor_all          0.018
_cod_original_formula_sum        'H4 F5 Fe Mn O2'
_cod_database_code               1000227
A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry, crystal structure, thermal transitions and structural correlations with the other forms of Fe F~3~
De Pape, R; Ferey, G; Materials Research Bulletin 21 (1986) 971–978; doi:10.1016/0025-5408(86)90134-0

data_1000228
_publ_section_title
;
A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry,
crystal structure, thermal transitions and structural correlations with
the other forms of Fe F~3~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              971
_journal_page_last               978
_journal_paper_doi               10.1016/0025-5408(86)90134-0
_journal_volume                  21
_journal_year                    1986
_chemical_formula_structural     'Fe F3'
_chemical_formula_sum            'F3 Fe'
_chemical_name_systematic        'Iron trifluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.325(2)
_cell_length_b                   10.325(2)
_cell_length_c                   10.325(2)
_cell_volume                     1100.7
_refine_ls_R_factor_all          0.039
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000228
Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~
Ouili, Z; Leblanc, A; Colombet, P; Journal of Solid State Chemistry 66 (1987) 86–94; doi:10.1016/0022-4596(87)90223-4

data_1000229
_publ_section_title
;
Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              86
_journal_page_last               94
_journal_paper_doi               10.1016/0022-4596(87)90223-4
_journal_volume                  66
_journal_year                    1987
_chemical_formula_structural     'Ag.5 In.5 P S3'
_chemical_formula_sum            'Ag0.5 In0.5 P S3'
_chemical_name_systematic
;
Silver indium phosphorus sulfide (.5/.5/1/3)
;
_space_group_IT_number           163
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   6.182(2)
_cell_length_b                   6.182(2)
_cell_length_c                   12.957(2)
_cell_volume                     428.8
_refine_ls_R_factor_all          0.028
_cod_original_formula_sum        'Ag.5 In.5 P S3'
_cod_database_code               1000229
Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction
Laligant, Y; Pannetier, J; Ferey, G; Journal of Solid State Chemistry 66 (1987) 242–250; doi:10.1016/0022-4596(87)90193-9

data_1000230
_publ_section_title
;
Ordered magnetic frustration. VI. Crystal and magnetic structures of
the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~
at 1.5K from powder neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              242
_journal_page_last               250
_journal_paper_doi               10.1016/0022-4596(87)90193-9
_journal_volume                  66
_journal_year                    1987
_chemical_formula_structural     'Mn Fe F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe H4 Mn O2'
_chemical_name_systematic        'Manganese iron(III) fluoride dihydrate'
_space_group_IT_number           44
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.475(1)
_cell_length_b                   10.766(1)
_cell_length_c                   6.594(1)
_cell_volume                     530.7
_refine_ls_R_factor_all          0.0374
_cod_original_formula_sum        'H4 F5 Fe Mn O2'
_cod_database_code               1000230
Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction
Laligant, Y; Pannetier, J; Ferey, G; Journal of Solid State Chemistry 66 (1987) 242–250; doi:10.1016/0022-4596(87)90193-9

data_1000231
_publ_section_title
;
Ordered magnetic frustration. VI. Crystal and magnetic structures of
the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~
at 1.5K from powder neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              242
_journal_page_last               250
_journal_paper_doi               10.1016/0022-4596(87)90193-9
_journal_volume                  66
_journal_year                    1987
_chemical_formula_structural     'Zn Fe F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe H4 O2 Zn'
_chemical_name_systematic        'Zinc iron(III) fluoride dihydrate'
_space_group_IT_number           44
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.451(1)
_cell_length_b                   10.747(1)
_cell_length_c                   6.524(1)
_cell_volume                     522.4
_refine_ls_R_factor_all          0.0341
_cod_original_formula_sum        'H4 F5 Fe O2 Zn'
_cod_database_code               1000231
Complex Copper(II) Fluorides IX. Weberite-Related Na Cu~3~ F~7~: The First Fluoride with Copper Both in Square Planar and Octahedral Coordination
Renaudin, J; Leblanc, M; Ferey, G; De, Kozak A; Samouel, M; Journal of Solid State Chemistry 73 (1988) 603–609; doi:10.1016/0022-4596(88)90156-9

data_1000232
_publ_section_title
;
Complex Copper(II) Fluorides IX. Weberite-Related Na Cu~3~ F~7~: The
First Fluoride with Copper Both in Square Planar and Octahedral
Coordination
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              603
_journal_page_last               609
_journal_paper_doi               10.1016/0022-4596(88)90156-9
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Na Cu3 F7'
_chemical_formula_sum            'Cu3 F7 Na'
_chemical_name_systematic        'Sodium tricopper fluoride'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 120.59(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.124(6)
_cell_length_b                   7.344(4)
_cell_length_c                   6.924(4)
_cell_volume                     530.7
_refine_ls_R_factor_all          0.047
_cod_database_code               1000232
Y Ba Cu Fe O~5+d~: A Novel Oxygen-Deficient Perovskite with a Layer Structure
Er Rakho, L; Michel, C; Lacorre, Ph; Raveau, B; Journal of Solid State Chemistry 73 (1988) 531–535; doi:10.1016/0022-4596(88)90141-7

data_1000233
_publ_section_title
;
Y Ba Cu Fe O~5+d~: A Novel Oxygen-Deficient Perovskite with a Layer
Structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              531
_journal_page_last               535
_journal_paper_doi               10.1016/0022-4596(88)90141-7
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Y Ba Cu Fe O5'
_chemical_formula_sum            'Ba Cu Fe O5 Y'
_chemical_name_systematic        'Yttrium barium copper iron(III) oxide'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.867
_cell_length_b                   3.867
_cell_length_c                   7.656
_cell_volume                     114.5
_refine_ls_R_factor_all          0.17
_cod_database_code               1000233
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar Coordination
Ferey, G; Le, Bail A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R; Journal of Solid State Chemistry 73 (1988) 610–614; doi:10.1016/0022-4596(88)90157-0

data_1000234
_publ_section_title
;
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide
Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar
Coordination
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              610
_journal_page_last               614
_journal_paper_doi               10.1016/0022-4596(88)90157-0
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu2.5 Pd.5 O7'
_chemical_formula_sum            'Ba2 Cu2.5 O7 Pd0.5 Y'
_chemical_name_systematic
;
Yttrium barium copper palladium oxide (1/2/2.5/.5/7)
;
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.841(1)
_cell_length_b                   3.883(1)
_cell_length_c                   11.671(3)
_cell_volume                     174.1
_refine_ls_R_factor_all          0.1174
_cod_original_formula_sum        'Ba2 Cu2.5 O7 Pd.5 Y'
_cod_database_code               1000234
Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O)
Fourquet, J L; Plet, F; Calage, Y; Journal of Solid State Chemistry 74 (1988) 34–38; doi:10.1016/0022-4596(88)90328-3

data_1000235
_publ_section_title
;
Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~
(H~2~ O)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              34
_journal_page_last               38
_journal_paper_doi               10.1016/0022-4596(88)90328-3
_journal_volume                  74
_journal_year                    1988
_chemical_formula_structural     '(N H4)2 Fe F5 (H2 O)'
_chemical_formula_sum            'F5 Fe H10 N2 O'
_chemical_name_systematic        'Diammonium pentafluoroaquoferrate(III)'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.491(4)
_cell_length_b                   8.090(3)
_cell_length_c                   7.997(3)
_cell_volume                     678.7
_exptl_crystal_density_meas      2.02(1)
_refine_ls_R_factor_all          0.0272
_cod_original_formula_sum        'H10 F5 Fe N2 O'
_cod_database_code               1000235
Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with "Independent F^-^" - A New Method of Comparison between Fluorides and Oxides of Different Formula
Courbion, G; Ferey, G; Journal of Solid State Chemistry 76 (1988) 426–431; doi:10.1016/0022-4596(88)90239-3

data_1000236
_publ_section_title
;
Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with "Independent
F^-^" - A New Method of Comparison between Fluorides and Oxides of
Different Formula
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              426
_journal_page_last               431
_journal_paper_doi               10.1016/0022-4596(88)90239-3
_journal_volume                  76
_journal_year                    1988
_chemical_formula_structural     'Na2 Ca3 Al2 F14'
_chemical_formula_sum            'Al2 Ca3 F14 Na2'
_chemical_name_systematic
;
Sodium calcium aluminium fluoride (2/3/2/14)
;
_space_group_IT_number           199
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.257(1)
_cell_length_b                   10.257(1)
_cell_length_c                   10.257(1)
_cell_volume                     1079.1
_exptl_crystal_density_meas      2.93(3)
_refine_ls_R_factor_all          0.032
_cod_database_code               1000236